Summary
Physics
Pakiet fizyki Debian Science
Metapakiet instalujący związane z fizyką pakiety Debian Science.
Użytkownika być może zainteresują również pakiety oznaczone debtagiem
field::physics oraz te znajdujące się w metapakiecie education-physics.
Description
For a better overview of the project's availability as a Debian package, each head row has a color code according to this scheme:
If you discover a project which looks like a good candidate for Debian Science
to you, or if you have prepared an unofficial Debian package, please do not hesitate to
send a description of that project to the Debian Science mailing list
Links to other tasks
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Debian Science Physics packages
Official Debian packages with high relevance
abinit
Pakiet do obliczania struktury elektronowej
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Versions of package abinit |
Release | Version | Architectures |
bookworm | 9.6.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 9.10.4-3 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
jessie | 7.8.2-2 | amd64,armel,armhf,i386 |
stretch | 8.0.8-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 8.8.4-2 | amd64,arm64,armhf,i386 |
bullseye | 9.2.2-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
upstream | 10.3.3 |
Debtags of package abinit: |
field | chemistry, physics |
role | program |
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License: DFSG free
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ABINIT jest pakietem, którego główny program pozwala na wyznaczenie
całkowitej energii, gęstości ładunku i struktury elektronowej układów
złożonych z elektronów i nukleonów (molekuł oraz periodyczności sieci)
wraz z teorią funkcjonału gęstości (DFT), używając pseudopotencjałów i
funkcji fali płaskiej.
ABINIT zawiera również opcje do optymalizacji geometrii wg sił i naprężeń
DFT lub przeprowadzania dynamicznych symulacji molekularnych używając tych
sił lub do generowania dynamicznych macierzy, efektywnych ładunków Borna
oraz tensorów dielektrycznych. Stan wzbudzony można oszacować z zależnej
od czasu teorii funkcjonału gęstości (dla molekuł) lub z teorii
perturbacji wielu ciał (przybliżenie GW). Dodatkowo różne programy
narzędziowe są dostarczone.
Pakiet zawiera pliki wykonywalne potrzebne do wykonywania obliczeń
(jednakże pseudopotencjały nie są dostarczane). Aby korzystać ze zbioru
pseudopotencjałów, należy zainstalować pakiet abinit-data.
Please cite:
X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Côté, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D.R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah and J. W. Zwanziger:
ABINIT: First-principles approach to material and nanosystem properties.
(eprint)
Comput. Phys. Commun.
180(12):2582-2615
(2009)
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axiom
Uniwersalny system algebry komputerowej: główny program i moduły
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Versions of package axiom |
Release | Version | Architectures |
stretch | 20140801-12 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 20140801-6 | amd64,armel,armhf,i386 |
trixie | 20170501-13 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 20170501-13 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 20170501-12 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 20170501-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 20170501-4 | amd64,arm64,armhf,i386 |
Debtags of package axiom: |
devel | compiler, interpreter |
field | mathematics |
interface | text-mode |
role | program |
scope | utility |
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License: DFSG free
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Axiom jest przydatny do badania i opracowywania algorytmów matematycznych.
Definiuje silnie typowaną i matematycznie poprawną hierarchię typów.
Posiada własny język programowania i wbudowany kompilator.
Axiom jest rozwijany od 1973 roku i był przez pewien czas sprzedawany jako
produkt komercyjny. Ostatecznie został wydany jako wolne oprogramowanie.
Obecnie trwają prace nad rozszerzeniem funkcjonalności programu,
ukierunkowane na: stworzenie lepszego interfejsu użytkownika, dostosowanie
go do roli przydatnego narzędzia nauczania, opracowanie protokołu
algebraicznego serwera, zintegrowanie innych aspektów matematyki,
przebudowanie algebry w czytelnym stylu programowania, zintegrowanie
programowania logicznego oraz opracowanie "Axiom Journal" z odpowiednich
artykułów.
Pakiet zawiera główny program wykonywalny oraz wszystkie prekompilowane i
automatycznie wczytywane moduły algebry.
The package is enhanced by the following packages:
texmacs-bin
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cadabra
System algebry komputerowej motywowany teorią pola
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Versions of package cadabra |
Release | Version | Architectures |
bullseye | 1.46-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.46-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 1.39-0.2 | amd64,armel,armhf,i386 |
stretch | 1.46-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.46-5 | amd64,arm64,armhf,i386 |
Debtags of package cadabra: |
field | mathematics |
role | program |
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License: DFSG free
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Cadabra to system algebry komputerowej zaprojektowany specjalnie
do rozwiązywania problemów napotykanych w teorii pola. Zawiera
rozbudowane funkcje upraszczania tensorów wielomianowych, obejmujące:
symetrie wielomianowe, fermiony i zmienne antykomutacyjne, algebrę
Clifforda i transformację Fierza, niejawną zależność współrzędnych,
wiele typów indeksów itd. Format wejściowy jest podzbiorem TeX-a.
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cernlib
Zestaw analizy danych CERNLIB - metapakiet ogólnego użytku
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Versions of package cernlib |
Release | Version | Architectures |
stretch | 20061220+dfsg3-4.3+deb9u2 | all |
buster | 20061220+dfsg3-4.4 | all |
jessie | 20061220+dfsg3-4.1 | all |
Debtags of package cernlib: |
field | physics |
role | dummy, metapackage |
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License: DFSG free
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CERNLIB to zestaw narzędzi i bibliotek do analizy danych stworzony na
potrzeby fizyki doświadczalnej. Można go stosować również w innych
dziedzinach naukowych, np. w naukach biologicznych.
Metapakiet dostarcza niemal wszystkich programów i bibliotek zawartych w
bibliotece CERN-u (CERNLIB). Większości osób wystarczy prawdopodobnie
jedynie ich niewielka część. Dodatkowe programy CERNLIB,
przeznaczone dla zainteresowanych, można pobrać instalując metapakiet
cernlib-extras.
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cp2k
Ab Initio Molecular Dynamics
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Versions of package cp2k |
Release | Version | Architectures |
buster | 6.1-2 | amd64,arm64,armhf,i386 |
bullseye | 8.1-9 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2023.2-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,s390x |
bookworm | 2023.1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 2.5.1-3 | amd64,armel,armhf,i386 |
stretch | 4.1-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
upstream | 2024.3 |
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License: DFSG free
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CP2K is a program to perform simulations of solid state, liquid, molecular and
biological systems. It is especially aimed at massively parallel and linear
scaling electronic structure methods and state-of-the-art ab-initio molecular
dynamics (AIMD) simulations.
CP2K is optimized for the mixed Gaussian and Plane-Waves (GPW) method based on
pseudopotentials, but is able to run all-electron or pure plane-wave/Gaussian
calculations as well. Features include:
Ab-initio Electronic Structure Theory Methods using the QUICKSTEP module:
- Density-Functional Theory (DFT) energies and forces
- Hartree-Fock (HF) energies and forces
- Moeller-Plesset 2nd order perturbation theory (MP2) energies and forces
- Random Phase Approximation (RPA) energies
- Gas phase or Periodic boundary conditions (PBC)
- Basis sets include various standard Gaussian-Type Orbitals (GTOs), Pseudo-
potential plane-waves (PW), and a mixed Gaussian and (augmented) plane wave
approach (GPW/GAPW)
- Norm-conserving, seperable Goedecker-Teter-Hutter (GTH) and non-linear core
corrected (NLCC) pseudopotentials, or all-electron calculations
- Local Density Approximation (LDA) XC functionals including SVWN3, SVWN5,
PW92 and PADE
- Gradient-corrected (GGA) XC functionals including BLYP, BP86, PW91, PBE and
HCTH120 as well as the meta-GGA XC functional TPSS
- Hybrid XC functionals with exact Hartree-Fock Exchange (HFX) including
B3LYP, PBE0 and MCY3
- Double-hybrid XC functionals including B2PLYP and B2GPPLYP
- Additional XC functionals via LibXC
- Dispersion corrections via DFT-D2 and DFT-D3 pair-potential models
- Non-local van der Waals corrections for XC functionals including B88-vdW,
PBE-vdW and B97X-D
- DFT+U (Hubbard) correction
- Density-Fitting for DFT via Bloechl or Density Derived Atomic Point Charges
(DDAPC) charges, for HFX via Auxiliary Density Matrix Methods (ADMM) and
for MP2/RPA via Resolution-of-identity (RI)
- Sparse matrix and prescreening techniques for linear-scaling Kohn-Sham (KS)
matrix computation
- Orbital Transformation (OT) or Direct Inversion of the iterative subspace
(DIIS) self-consistent field (SCF) minimizer
- Local Resolution-of-Identity Projector Augmented Wave method (LRIGPW)
- Absolutely Localized Molecular Orbitals SCF (ALMO-SCF) energies for linear
scaling of molecular systems
- Excited states via time-dependent density-functional perturbation theory
(TDDFPT)
Ab-initio Molecular Dynamics:
- Born-Oppenheimer Molecular Dynamics (BOMD)
- Ehrenfest Molecular Dynamics (EMD)
- PS extrapolation of initial wavefunction
- Time-reversible Always Stable Predictor-Corrector (ASPC) integrator
- Approximate Car-Parrinello like Langevin Born-Oppenheimer Molecular Dynamics
(Second-Generation Car-Parrinello Molecular Dynamics (SGCP))
Mixed quantum-classical (QM/MM) simulations:
- Real-space multigrid approach for the evaluation of the Coulomb
interactions between the QM and the MM part
- Linear-scaling electrostatic coupling treating of periodic boundary
conditions
- Adaptive QM/MM
Further Features include:
- Single-point energies, geometry optimizations and frequency calculations
- Several nudged-elastic band (NEB) algorithms (B-NEB, IT-NEB, CI-NEB, D-NEB)
for minimum energy path (MEP) calculations
- Global optimization of geometries
- Solvation via the Self-Consistent Continuum Solvation (SCCS) model
- Semi-Empirical calculations including the AM1, RM1, PM3, MNDO, MNDO-d, PNNL
and PM6 parametrizations, density-functional tight-binding (DFTB) and
self-consistent-polarization tight-binding (SCP-TB), with or without
periodic boundary conditions
- Classical Molecular Dynamics (MD) simulations in microcanonical ensemble
(NVE) or canonical ensmble (NVT) with Nose-Hover and canonical sampling
through velocity rescaling (CSVR) thermostats
- Metadynamics including well-tempered Metadynamics for Free Energy
calculations
- Classical Force-Field (MM) simulations
- Monte-Carlo (MC) KS-DFT simulations
- Static (e.g. spectra) and dynamical (e.g. diffusion) properties
- ATOM code for pseudopotential generation
- Integrated molecular basis set optimization
CP2K does not implement conventional Car-Parrinello Molecular Dynamics (CPMD).
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drawxtl
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Versions of package drawxtl |
Release | Version | Architectures |
bookworm | 5.5-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 5.5-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 5.5-6.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 5.5-3 | amd64,armel,armhf,i386 |
stretch | 5.5-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 5.5-3 | amd64,arm64,armhf,i386 |
trixie | 5.5-6.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package drawxtl: |
interface | x11 |
role | program |
uitoolkit | glut |
x11 | application |
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License: DFSG free
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DRAWxtl reads a basic description of the crystal structure, which includes
unit-cell parameters, space group, atomic coordinates, thermal parameters or
a Fourier map, and outputs a geometry object that contains polyhedra, planes,
lone-pair cones, spheres or ellipsoids, bonds, iso-surface Fourier contours
and the unit-cell boundary.
Four forms of graphics are produced:
- an OpenGL window for immediate viewing
- the Persistence of Vision Ray Tracer (POV-RAY) scene language for
publication-quality drawings
- the Virtual Reality Modeling Language (VRML) for dissemination
across the Internet
- a Postscript rendering of the OpenGL window for those who want
high-quality output but do not have POV-RAY installed.
File formats DRAWxtl can read include CIF, FDAT, FullProf (pcr), GSAS, SCHAKAL,
SHELX, DISCUS and WIEN2k.
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etsf-io
Binary tools to check, merge and read ETSF files
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Versions of package etsf-io |
Release | Version | Architectures |
bookworm | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.0.4-4 | amd64,arm64,armhf,i386 |
jessie | 1.0.3-4 | amd64,armel,armhf,i386 |
stretch | 1.0.4-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
sid | 1.0.4-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
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The European Theoretical Spectroscopy Facility (ETSF) is a European
network dedicated to providing support and services for ongoing
research in academic, government and industrial laboratories.
The ETSF is divided into 7 beamlines, each of which is concerned with
a specific scientific topic:
- Optics ;
- Energy Loss Spectroscopy ;
- Quantum Transport ;
- Time-resolved Spectroscopy ;
- Photo-emission Spectroscopy ;
- Vibrational Spectroscopy ;
- X-Rays Spectroscopy.
To allow the adoption of its recommendations about standardization, the
ETSF proposes different libraries and tools implementing or using these
specifications, as well as widely usable pieces of software.
ETSF_IO is a library of F90 routines to read/write the ETSF file format.
This package contains the user tools to:
- check file conformance to the specifications;
- extract data from files;
- merge multiple files from parallel runs, as specified in the
specifications.
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feynmf
Zestaw makr LaTeX-a do tworzenia diagramów Feynmana
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Versions of package feynmf |
Release | Version | Architectures |
sid | 1.08-14 | all |
trixie | 1.08-14 | all |
jessie | 1.08-9 | all |
stretch | 1.08-10 | all |
buster | 1.08-11 | all |
bullseye | 1.08-12 | all |
bookworm | 1.08-14 | all |
Debtags of package feynmf: |
field | physics |
made-of | tex |
works-with | text |
works-with-format | tex |
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License: DFSG free
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FeynMF to pakiet LaTeX-a umożliwiający łatwe rysowanie diagramów Feynmana
* profesjonalnej jakości. Diagramy Feynmana są ilustracjami, które wyraźnie
pokazują podstawowe interakcje cząstek subatomowych. Diagramy można tworzyć
za pomocą programów Metafont lub MetaPost. FeynMF w zadowalający sposób
porządkuje większość diagramów w oparciu o ich strukturę, bez konieczności
ręcznej interwencji. Niemniej jednak w nietypowych przypadkach dostępne są
wszystkie opcje Metafont lub MetaPost.
Uwaga! Aby korzystać z wersji FeynMF opartej na MetaPost należy
zainstalować pakiet texlive-metapost.
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fityk
Dopasowywanie nieliniowych krzywych i analiza danych ogólnego użytku
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Versions of package fityk |
Release | Version | Architectures |
bullseye | 1.3.1-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.3.2-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.2.1-0.1 | amd64,armel,armhf,i386 |
stretch | 1.3.0-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
trixie | 1.3.2-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 1.3.2-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1.3.1-3 | amd64,arm64,armhf,i386 |
Debtags of package fityk: |
field | chemistry, physics |
interface | x11 |
role | program |
science | calculation, modelling, plotting |
scope | utility |
uitoolkit | ncurses, wxwidgets |
x11 | application |
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License: DFSG free
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Fityk jest elastycznym i przenośnym programem do dopasowywania nieliniowych
funkcji analitycznych (zwłaszcza modelowanych wierzchołkami) do danych
(zwykle doświadczalnych). Innymi słowy służy do oddzielenia i analizy
nieliniowych wierzchołków.
Zaprojektowany został do analizy dyfraktogramów, ale może zostać użyty do
innych celów, odkąd pojęcia i operacje specyficzne dla krystalografii są
oddzielone od reszty programu.
Fityk oferuje różnorodne metody dopasowywania nieliniowego, odejmowanie
tła, kalibrację danych, łatwe umieszczanie wierzchołków i zmianę ich
parametrów, automatyzację powszechnie używanych zadań poprzez skrypty, i
dużo więcej. Główną zaletą programu jest elastyczność - parametry
wierzchołków mogą być dowolnie powiązane między sobą np. szerokość
wierzchołka może być niezależną zmienną, może być taka sama jak szerokość
innego wierzchołka lub też może być złożoną - wspólną dla wszystkich
wierzchołków - formułą.
Pakiet libjs-sphinxdoc potrzebny jest do zainstalowania plików źródłowych
JavaScript w dokumentacji.
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geant321
[Fizyka] Opis i narzędzie symulacji detektora cząstek
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Versions of package geant321 |
Release | Version | Architectures |
stretch | 3.21.14.dfsg-11 | all |
buster | 3.21.14.dfsg-11 | all |
jessie | 3.21.14.dfsg-11 | all |
Debtags of package geant321: |
devel | lang:fortran |
field | physics |
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License: DFSG free
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GEANT jest konstrukcją symulującą przechodzenie subatomowych cząstek przez
materię, np. detektory cząstek. W celu maksymalnej elastyczności,
symulacje GEANT są przygotowywane przez połączenie kodu FORTRAN,
napisanego przez użytkownika z biblioteką GEANT, a następnie uruchamiającą
uzyskany plik wykonawczy.
Pakiet ten zawiera gxint, skrypt sprawiający, że etap połączenia jest
mniej kłopotliwy.
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gerris
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Versions of package gerris |
Release | Version | Architectures |
stretch | 20131206+dfsg-17 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bookworm | 20131206+dfsg-19 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 20131206+dfsg-21 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 20131206+dfsg-19 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 20131206+dfsg-21 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 20131206+dfsg-5 | amd64,armel,armhf,i386 |
buster | 20131206+dfsg-18 | amd64,arm64,armhf,i386 |
Debtags of package gerris: |
field | mathematics, physics |
role | program |
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License: DFSG free
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Gerris is a system for the solution of the partial differential
equations describing fluid flow.
A brief summary of its main (current) features:
- Solves the time-dependent incompressible variable-density Euler,
Stokes or Navier-Stokes equations
- Adaptive mesh refinement: the resolution is adapted dynamically to
the features of the flow
- Entirely automatic mesh generation in complex geometries
- Second-order in space and time
- Unlimited number of advected/diffused passive tracers
- Flexible specification of additional source terms
- Portable parallel support using the MPI library
- Volume of Fluid advection scheme for interfacial flows
This package has MPI support built in.
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ghkl
diffractometer computation control application
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Versions of package ghkl |
Release | Version | Architectures |
trixie | 5.1.2-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 5.0.0.3001-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye-backports | 5.0.0.2994-1~bpo11+1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 5.0.0.2661-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 5.0.0.2456-1 | amd64,arm64,armhf,i386 |
stretch | 5.0.0.2173-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 4.0.3-4 | amd64,armel,armhf,i386 |
sid | 5.1.2-2 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm-backports | 5.1.2-2~bpo12+1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package ghkl: |
uitoolkit | gtk |
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License: DFSG free
|
The hkl library is a framework for diffraction computation and
diffractometer control, heavily used at the SOLEIL synchrotron. It
supports various types of diffractometer geometry: Eulerian 4-circle,
Eulerian 6-circle, kappa 4-circle, kappa 6-circle, and z-axis
geometry. For each of these it provides several numerically computed
modes, such as bisector and constant psi.
This package provides a gui on top of the hkl library.
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gpaw
DFT and beyond within the projector-augmented wave method
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Versions of package gpaw |
Release | Version | Architectures |
bullseye | 21.1.0-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 1.1.0-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.5.1-1 | amd64,arm64,armhf,i386 |
bookworm | 22.8.0-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 24.6.0-1 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
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License: DFSG free
|
A density-functional theory (DFT) Python code
based on the projector-augmented wave (PAW) method and the
atomic simulation environment (ASE). It uses real-space uniform grids and
multigrid methods, atom-centered basis-functions or plane-waves.
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gpiv
??? missing short description for package gpiv :-(
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Versions of package gpiv |
Release | Version | Architectures |
jessie | 0.6.1-2.3 | amd64,armel,armhf,i386 |
Debtags of package gpiv: |
uitoolkit | gtk |
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License: DFSG free
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gpivtools
??? missing short description for package gpivtools :-(
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Versions of package gpivtools |
Release | Version | Architectures |
jessie | 0.6.0-3.1 | amd64,armel,armhf,i386 |
Debtags of package gpivtools: |
interface | commandline |
role | program |
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License: DFSG free
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gwyddion
Narzędzie do wizualizacji i analizy danych mikroskopii z sondą skanującą (SPM)
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Versions of package gwyddion |
Release | Version | Architectures |
sid | 2.67-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2.62-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.67-1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 2.57-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 2.52-1 | amd64,arm64,armhf,i386 |
stretch | 2.47-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 2.38-2 | amd64,armel,armhf,i386 |
Debtags of package gwyddion: |
field | physics |
interface | x11 |
role | program |
science | visualisation |
scope | application |
uitoolkit | gtk |
use | analysing, viewing |
works-with | image, image:raster |
x11 | application |
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License: DFSG free
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Gwyddion jest modularnym programem do wizualizacji i analizy danych
mikroskopii z sondą skanującą (SPM). Przeznaczony jest głównie do analizy
danych zawierających wartość pola jako wskaźnik trzeciej współrzędnej
położenia - wysokości, otrzymanych przy pomocy następujących technik:
- Mikroskop Sił Atomowych (AFM),
- Mikroskop Sił Magnetycznych (MFM),
- Skaningowy Mikroskop Tunelowy (STM),
- Mikroskop Optyczny Bliskiego Pola (SNOM lub NSOM)
i wiele innych.
Może być również użyty do arbitralnej analizy obrazów danych zawierających
wartość pola jako wskaźnik trzeciej współrzędnej położenia - wysokości.
Pakiet zawiera główną aplikację i jej moduły. Zawiera również program
Thumbnailer do GNOME (i Xfce), który tworzy podgląd wszystkich typów plików
obsługiwanych przez program Gwyddion.
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libroot-math-mlp-dev
??? missing short description for package libroot-math-mlp-dev :-(
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Versions of package libroot-math-mlp-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-math-mlp-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libroot-montecarlo-vmc-dev
??? missing short description for package libroot-montecarlo-vmc-dev :-(
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Versions of package libroot-montecarlo-vmc-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-montecarlo-vmc-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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libroot-tmva-dev
??? missing short description for package libroot-tmva-dev :-(
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Versions of package libroot-tmva-dev |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | amd64,armel,armhf,i386 |
Debtags of package libroot-tmva-dev: |
devel | library |
role | devel-lib |
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License: DFSG free
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maxima
System algebry komputerowej - system podstawowy
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Versions of package maxima |
Release | Version | Architectures |
jessie | 5.34.1-2 | amd64,armel,armhf,i386 |
sid | 5.47.0-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 5.44.0-3 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 5.47.0-5 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 5.46.0-11 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 5.42.1-1 | amd64,arm64,armhf,i386 |
stretch | 5.38.1-8 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package maxima: |
field | mathematics |
role | program |
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License: DFSG free
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Maxima jest programem do obliczeń symbolicznych, w pełni wyposażonym do
działań z symbolicznymi obliczeniami wielomianów, macierzami, funkcjami
wymiernymi, całkowaniem, metodami Todd-Coxetera do analizy skończonej
grupy, wykresami i dokładnymi obliczeniami zmiennoprzecinkowymi.
Posiada symboliczny debugger do kodu źródłowego maxima.
Maxima opiera się na oryginalnym opracowaniu Macsyma w MIT (Massachusetts
Institute of Technology) z 1970 roku. Jest niezawodny, nie ma wycieków
pamięci, której zapewnia doskonałe czyszczenie. Jego działanie zostało
sprawdzone setkami testów kontrolnych.
Pakiet zawiera podstawowe pliki wykonywalne i systemowe.
The package is enhanced by the following packages:
texmacs-bin
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meshlab
System for processing and editing triangular meshes
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Versions of package meshlab |
Release | Version | Architectures |
bookworm | 2020.09+dfsg1-2 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 1.3.2+dfsg1-3 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 1.3.2+dfsg1-2 | amd64,armel,armhf,i386 |
trixie | 2020.09+dfsg1-3 | amd64,arm64,i386,mips64el,ppc64el,riscv64,s390x |
sid | 2020.09+dfsg1-3 | amd64,arm64,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.3.2+dfsg1-4 | amd64,arm64,armhf,i386 |
bullseye | 2020.09+dfsg1-1 | amd64,arm64,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package meshlab: |
field | mathematics, physics |
interface | x11 |
role | program |
uitoolkit | qt |
x11 | application |
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License: DFSG free
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This is an open source, portable, and extendible system for the
processing and editing of unstructured 3D triangular meshes.
The system is aimed to help the processing of the typical not-so-small
unstructured models arising in 3D scanning, providing a set of tools for
editing, cleaning, healing, inspecting, rendering and converting this kind
of meshes.
Meshlab can read files in these formats: PLY, STL, OFF, OBJ, 3DS, COLLADA
and PTX. It can write PLY, STL, OFF, OBJ, 3DS, COLLADA, VRML, and DXF.
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mpqc
Massively Parallel Quantum Chemistry Program
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Versions of package mpqc |
Release | Version | Architectures |
jessie | 2.3.1-16 | amd64,armel,armhf,i386 |
bookworm | 2.3.1-22 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.3.1-21 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 2.3.1-19 | amd64,arm64,armhf,i386 |
stretch | 2.3.1-18+deb9u1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
sid | 2.3.1-22 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package mpqc: |
field | chemistry, physics |
interface | commandline, x11 |
role | program |
scope | utility |
uitoolkit | gtk |
x11 | application |
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License: DFSG free
|
MPQC is an ab-inito quantum chemistry program. It is especially designed
to compute molecules in a highly parallelized fashion.
It can compute energies and gradients for the following methods:
- Closed shell and general restricted open shell Hartree-Fock (HF)
- Density Functional Theory (DFT)
- Closed shell second-order Moeller-Plesset perturbation theory (MP2)
Additionally, it can compute energies for the following methods:
- Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
- Second order open shell pertubation theory (OPT2[2])
- Z-averaged pertubation theory (ZAPT2)
It also includes an internal coordinate geometry optimizer.
MPQC is built upon the Scientific Computing Toolkit (SC).
Please cite:
The Massively Parallel Quantum Chemistry Program (MPQC), Version 2.3.1, Curtis L. Janssen, Ida B. Nielsen, Matt L. Leininger, Edward F. Valeev, Joseph P. Kenny, Edward T. Seidl, Sandia National Laboratories, Livermore, CA.
(2008)
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oce-draw
??? missing short description for package oce-draw :-(
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Versions of package oce-draw |
Release | Version | Architectures |
bookworm | 0.18.3-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
jessie | 0.15-5 | amd64,armel,armhf,i386 |
stretch | 0.17.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 0.18.2-3 | amd64,arm64,armhf,i386 |
bullseye | 0.18.3-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
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License: DFSG free
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openfoam
Open source toolbox for Computational Fluid Dynamics (CFD) - binaries
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Versions of package openfoam |
Release | Version | Architectures |
stretch | 4.1+dfsg1-1 | amd64,arm64,armhf,i386,ppc64el,s390x |
trixie | 1912.200626-3 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
sid | 1912.200626-3 | amd64,arm64,mips64el,ppc64el,riscv64,s390x |
bullseye | 1912.200626-1 | amd64,arm64,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1912.200626-1 | amd64,arm64,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 1812+dfsg1-2 | amd64,arm64,armhf,i386 |
upstream | 2406 |
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License: DFSG free
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OpenFOAM is the free, open source CFD software released and developed
primarily by OpenCFD Ltd since 2004. It has a large user base across most
areas of engineering and science, from both commercial and academic
organisations. OpenFOAM has an extensive range of features to solve anything
from complex fluid flows involving chemical reactions, turbulence and heat
transfer, to acoustics, solid mechanics and electromagnetics.
Package contains binaries.
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openmx
package for nano-scale material simulations
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Versions of package openmx |
Release | Version | Architectures |
jessie | 3.7.6-1 | amd64,armel,armhf,i386 |
stretch | 3.7.6-1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 3.8.5+dfsg1-1 | amd64,arm64,armhf,i386 |
Debtags of package openmx: |
field | chemistry, physics |
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License: DFSG free
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OpenMX (Open source package for Material eXplorer) is a program package for
nano-scale material simulations based on density functional theories (DFT),
norm-conserving pseudopotentials and pseudo-atomic localized
basis functions. Since the code is designed for the realization of
large-scale ab initio calculations on parallel computers, it is anticipated
that OpenMX can be a useful and powerful tool for nano-scale material sciences
in a wide variety of systems such as biomaterials, carbon nanotubes, magnetic
materials, and nanoscale conductors.
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opticalraytracer
Virtual lens/mirror design workshop
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Versions of package opticalraytracer |
Release | Version | Architectures |
buster | 3.2-1.1 | all |
sid | 9.6-4 | all |
bookworm | 9.6-1 | all |
trixie | 9.6-4 | all |
bullseye | 9.6-1 | all |
stretch | 3.2-1.1 | all |
jessie | 3.2-1.1 | all |
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License: DFSG free
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OpticalRayTracer is an application that analyzes systems of lenses and mirrors.
It uses optical principles and a virtual optical bench to predict the behavior
of many kinds of ordinary and exotic lens types as well as flat and curved
mirrors. OpticalRayTracer includes an advanced, easy-to-use interface that
allows the user to rearrange the optical configuration by dragging objects
around using the mouse.
OpticalRayTracer fully analyzes lens optical properties, including refraction
and dispersion. The dispersion display uses color-coded light beams to simplify
interpretation of the results.
OpticalRayTracer allows the creation of mirrors, flat and curved. In modern
optical designs, mirrors often produce better results than lenses, for example
in astronomical instruments. Such instruments can be roughed out in
OpticalRayTracer's virtual workbench.
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paw
Physics Analysis Workstation (ang. Stacja robocza do analizy dla fizyków) - program do analizy graficznej
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Versions of package paw |
Release | Version | Architectures |
stretch | 2.14.04.dfsg.2-9.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 2.14.04.dfsg.2-9.1 | amd64,arm64,armhf,i386 |
jessie | 2.14.04.dfsg.2-9 | amd64,armel,armhf,i386 |
Debtags of package paw: |
field | physics |
interface | x11 |
role | program |
scope | utility |
uitoolkit | xlib |
use | viewing |
x11 | application |
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License: DFSG free
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CERNLIB to zestaw narzędzi do analizy danych oraz biblioteka stworzona na
potrzeby fizyki doświadczalnej, zawiera jednak również aplikacje pomocne w
innych dziedzinach, takich jak nauki biologiczne.
PAW jest interaktywnym programem zawierającym narzędzia do graficznej
prezentacji oraz do analizy statystycznej i matematycznej. Jest
przeznaczony do pracy na obiektach bliskich fizykom takich jak histogramy,
pliki zdarzeń (Ntuples), wektory itp.
W celu poprawnego funkcjonowania, na architekturach 64-bitowych, program
jest łączony statycznie z biblioteką CERN, gdyż nie był projektowany na
taką architekturę.
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paw++
Physics Analysis Workstation (Lesstif-enhanced version)
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Versions of package paw++ |
Release | Version | Architectures |
stretch | 2.14.04.dfsg.2-9.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 2.14.04.dfsg.2-9 | amd64,armel,armhf,i386 |
buster | 2.14.04.dfsg.2-9.1 | amd64,arm64,armhf,i386 |
Debtags of package paw++: |
field | physics |
interface | x11 |
role | program |
scope | utility |
uitoolkit | motif |
use | viewing |
x11 | application |
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License: DFSG free
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CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
This package includes Paw++, an interactive program for use in analysis and
graphical presentation. Paw++ is the same program as PAW (in the "paw"
package), but with a more user-friendly Motif-based GUI, compiled against
Lesstif in Debian.
The program is linked statically against the CERN libraries on
64-bit architectures in order to function properly, as its design is not
very 64-bit clean.
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psi3
Zestaw programów chemii kwantowej PSI3
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Versions of package psi3 |
Release | Version | Architectures |
bullseye | 3.4.0-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
stretch | 3.4.0-6 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 3.4.0-5 | amd64,armel,armhf,i386 |
sid | 3.4.0-6 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 3.4.0-6 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 3.4.0-6 | amd64,arm64,armhf,i386 |
Debtags of package psi3: |
field | chemistry, physics |
interface | commandline |
role | program |
science | calculation |
scope | suite |
use | calculating |
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License: DFSG free
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PSI3 jest pakietem programów z zakresu chemii kwantowej wykorzystujących
do obliczeń metody ab-initio. Dzięki wysoce korelacyjnym technikom
obliczeniowym jest szczególnie użyteczny w zakresie dokładnego określania
własności molekuł, tak małych, jak i średniej wielkości.
Pakiet umożliwia obliczanie energii i gradientów następującymi metodami:
- Hartree-Focka dla powłoki walencyjnej i ogólnej ograniczonej powłoki
otwartej (RHF/ROHF) (w tym analityczne hessiany dla RHF),
- teorii zaburzeń Mollera-Plesseta z zamkniętą powłoką (MP2),
- metodą zamknięcia przestrzeni aktywnej SCF (CASSCF),
- klastrowo-złączonych singli i dubletów (CCSD),
- klastrowo-złączonych singli i dubletów z perturbacyjnymi trypletami
(CCSD(T)) (tylko dla nieograniczonych (UHF) referencyjnych funkcji
falowych).
Dodatkowo może liczyć energie następującymi metodami:
- nieograniczonej otwartej powłoki Hartree-Focka (UHF),
- teorii perturbacji Moellera-Plesseta dla zamkniętej/otwartej powłoki
(MP2),
- teorii MP2 z zamkniętą powłoką wyraźnie skorelowaną (MP2-R12) oraz
teorii MP2 skalowanej ze składowymi spinowymi (SCS-MP2),
- teorii perturbacji Moellera-Plesseta dla zamkniętej powłoki liniowej
R12 (MP2-R12),
- wieloreferencyjnej konfiguracji-interakcji (MRCI),
- przybliżonych pojedynczych klastrów drugiego/trzeciego rzędu dubletów
(CC2/CC3),
- pojedynczych klastrów sprzężonych z wieloma odniesieniami dubletów
(MRCCSD),
- zamkniętej powłoki i ogólnie ograniczonego równania otwartej powłoki
z pojedynczymi klastrami sprzężonymi z równaniem ruchu (EOM-CCSD).
Pozostałe własności pakietu obejmują m.in.:
- elastyczne, modularne i dopasowane przez użytkownika formaty wejściowe,
- obliczenia stanów wzbudzonych metodami CC2/CC3, EOM-CCSD, CASSCF, MRCI
i MRCCSD,
- wewnętrzny optymalizator koordynat geometrycznych,
- obliczenia częstotliwości harmonicznych,
- własności jednoelektronowe w rodzaju: momenty dipolowe/kwadrupolowe,
orbitale naturalne, potencjały elektrostatyczne, stałe parowania
hiperfinicznego, czy gęstość spinową,
- wykorzystywanie molekularnej symetrii grupowo-punktowej do zwiększenia
wydajności.
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pyfr
flux reconstruction in Python
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Versions of package pyfr |
Release | Version | Architectures |
bullseye | 1.5.0-3 | all |
buster | 1.5.0-3 | all |
stretch | 1.5.0-1 | all |
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License: DFSG free
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PyFR is an open-source Python based framework for solving advection-diffusion
type problems on streaming architectures using the Flux Reconstruction
approach of Huynh. The framework is designed to solve a range of governing
systems on mixed unstructured grids containing various element types. It is
also designed to target a range of hardware platforms via use of an in-built
domain specific language derived from the Mako templating engine.
This package provides the PyFR application.
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pymca
Applications and toolkit for X-ray fluorescence analysis -- scripts
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Versions of package pymca |
Release | Version | Architectures |
sid | 5.9.3+dfsg-1 | all |
stretch | 5.1.3+dfsg-1 | all |
trixie | 5.9.3+dfsg-1 | all |
jessie | 4.7.4+dfsg-1 | amd64,armel,armhf,i386 |
bullseye | 5.6.3+dfsg-1 | all |
buster | 5.4.3+dfsg-1 | all |
bookworm-backports | 5.8.7+dfsg-2~bpo12+1 | all |
bookworm | 5.8.0+dfsg-2 | all |
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License: DFSG free
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PyMca is set of applications and Python libraries for analysis of
X-ray fluorescence spectra.
The applications included in this package are:
- edfviewer - Display and inspection of data files in ESRF Data Format
- elementsinfo - Displays element specific X-ray data
- mca2edf - Converts files from SPEC MCA format to EDF
- peakidentifier - Displays X-ray fluorescence peaks in a given energy range
- pymcabatch - Batch fitting of spectra
- pymcapostbatch - Post-processing of batch fitting results
- pymca - Interactive data-analysis
- pymcaroitool - Region-of-interest (ROI) imaging tool
The PyMca toolkit can read data files in SPEC, ESRF data file (EDF),
OMNIC, HDF5, AIFIRA and SupaVisio formats.
This are the scripts of the package.
|
|
python3-deap
Distributed Evolutionary Algorithms in Python3
|
Versions of package python3-deap |
Release | Version | Architectures |
bookworm | 1.3.1-4 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 1.4.1-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 1.4.1-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.0.2.post2-6 | all |
stretch | 1.0.2.post2-2 | all |
jessie | 1.0.1-3+deb8u1 | all |
bullseye | 1.3.1-2 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
|
License: DFSG free
|
DEAP is a novel evolutionary computation framework for rapid prototyping and
testing of ideas. It seeks to make algorithms explicit and data structures
transparent. It works in perfect harmony with parallelisation mechanism such as
multiprocessing and SCOOP.
This package contains the modules for Python3.
|
|
python3-sympy
System algebry komputerowej w Pythonie (Python 3)
|
Versions of package python3-sympy |
Release | Version | Architectures |
bullseye | 1.7.1-3 | all |
stretch | 1.0-3 | all |
bookworm | 1.11.1-1 | all |
trixie | 1.13.3-1 | all |
sid | 1.13.3-1 | all |
buster | 1.3-2 | all |
|
License: DFSG free
|
SymPy to biblioteka Pythona przeznaczona do obsługi matematyki symbolicznej.
Zaprojektowano ją aby stała się w pełni funkcjonalnym systemem algebry
komputerowej (ang. Computer Algebra System - CAS), przy jednoczesnym
zachowaniu możliwie najprostszego kodu, tak aby był zrozumiały i łatwy do
rozbudowy. SymPy została w całości napisana w Pythonie i nie wymaga żadnych
zewnętrznych bibliotek, z wyjątkiem opcjonalnego wsparcia dla kreślenia.
Pakiet zawiera wersję sympy dla Pythona 3.
The package is enhanced by the following packages:
texmacs-bin
|
|
quantum-espresso
Electronic-Structure and Ab-Initio Molecular Dynamics Suite
|
Versions of package quantum-espresso |
Release | Version | Architectures |
stretch | 6.0-3 | amd64,arm64,armhf,i386,mips,mipsel,ppc64el,s390x |
buster | 6.3-4 | amd64,arm64,armhf,i386 |
jessie | 5.1+dfsg-3 | amd64,armel,armhf,i386 |
bullseye | 6.7-2 | amd64,arm64,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 6.7-2 | amd64,arm64,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 6.7-3 | amd64,arm64,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package quantum-espresso: |
role | program |
|
License: DFSG free
|
Quantum ESPRESSO (formerly known as PWscf) is an integrated suite of computer
codes for electronic-structure calculations and materials modeling at the
nanoscale. It is based on density-functional theory, plane waves, and
pseudopotentials (both norm-conserving, ultrasoft, and PAW).
Features include:
- Ground-state single-point and band structure calculations using plane-wave
self-consistent total energies, forces and stresses
- Separable norm-conserving and ultrasoft (Vanderbilt) pseudo-potentials, PAW
(Projector Augmented Waves)
- Various exchange-correlation functionals, from LDA to generalized-gradient
corrections (PW91, PBE, B88-P86, BLYP) to meta-GGA, exact exchange (HF) and
hybrid functionals (PBE0, B3LYP, HSE)
- Car-Parrinello and Born-Oppenheimer Molecular Dynamics
- Structural Optimization including transition states and minimum energy
paths
- Spin-orbit coupling and noncollinear magnetism
- Response properties including phonon frequencies and
eigenvectors, effective charges and dielectric tensors, Infrared and
Raman cross-sections, EPR and NMR chemical shifts
- Spectroscopic properties like K- and L1-edge X-ray Absorption Spectra (XAS)
and electronic excitations
Please cite:
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari and R. M. Wentzcovitch:
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.
J. Phys. Condens. Matter
21:395502
(2009)
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|
root-system
??? missing short description for package root-system :-(
|
Versions of package root-system |
Release | Version | Architectures |
jessie | 5.34.19+dfsg-1.2 | all |
Debtags of package root-system: |
field | physics |
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License: DFSG free
|
|
|
science-electronics
Debian Science Electronics transitional package
|
Versions of package science-electronics |
Release | Version | Architectures |
stretch | 1.7 | all |
sid | 1.14.7 | all |
trixie | 1.14.7 | all |
jessie | 1.4 | all |
bullseye | 1.14.2 | all |
buster | 1.10 | all |
bookworm | 1.14.5 | all |
Debtags of package science-electronics: |
field | electronics |
role | metapackage |
suite | debian |
|
License: DFSG free
|
Debian-Electronics is now a separate Debian Pure Blend and allows a
fine-grained control on the topics to install. To ease the transition,
this package will install all user related tasks from Debian-Electronics.
|
|
science-numericalcomputation
Pakiety naukowe Debiana do wykonywania obliczeń numerycznych
|
Versions of package science-numericalcomputation |
Release | Version | Architectures |
stretch | 1.7 | all |
buster | 1.10 | all |
bookworm | 1.14.5 | all |
sid | 1.14.7 | all |
bullseye | 1.14.2 | all |
jessie | 1.4 | all |
trixie | 1.14.7 | all |
Debtags of package science-numericalcomputation: |
devel | lang:lisp |
role | metapackage, shared-lib |
|
License: DFSG free
|
Ten metapakiet instaluje pakiety naukowe Debiana, które są użyteczne
przy wykonywaniu obliczeń numerycznych. Pakiety te zapewniają tablicowy
system obliczeń i wizualizacji do obliczeń naukowych i analizy danych.
Pakiety podobne są do systemów komercyjnych, takich jak Matlab i IDL.
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|
siconos
modeling and simulation of nonsmooth dynamical systems (simulation runner tool)
|
Versions of package siconos |
Release | Version | Architectures |
bullseye | 4.3.1+dfsg-2 | all |
sid | 4.4.0+dfsg-4 | all |
bookworm | 4.4.0+dfsg-2 | all |
upstream | 4.5.0 |
|
License: DFSG free
|
Siconos is an open-source scientific software primarily targeted at
modeling and simulating nonsmooth dynamical systems in C++ and in
Python:
- Mechanical systems (rigid or solid) with unilateral contact and
Coulomb friction and impact (nonsmooth mechanics, contact dynamics,
multibody systems dynamics or granular materials).
- Switched Electrical Circuit such as electrical circuits with ideal
and piecewise linear components: power converter, rectifier,
Phase-Locked Loop (PLL) or Analog-to-Digital converter.
- Sliding mode control systems.
- Biology (Gene regulatory network).
Other applications are found in Systems and Control (hybrid systems,
differential inclusions, optimal control with state constraints),
Optimization (Complementarity systems and Variational inequalities),
Fluid Mechanics, and Computer Graphics.
This package contains the 'siconos' tool allowing to compile and run
Siconos programs/scripts in a single command.
Please cite:
Vincent Acary and Bernard Brogliato:
The SICONOS Platform
:443-488
(2008)
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|
siconos-mechanics-tools
modeling and simulation of nonsmooth dynamical systems (mechanics tools)
|
Versions of package siconos-mechanics-tools |
Release | Version | Architectures |
bullseye | 4.3.1+dfsg-2 | all |
bookworm | 4.4.0+dfsg-2 | all |
sid | 4.4.0+dfsg-4 | all |
upstream | 4.5.0 |
|
License: DFSG free
|
Siconos is an open-source scientific software primarily targeted at
modeling and simulating nonsmooth dynamical systems in C++ and in
Python:
- Mechanical systems (rigid or solid) with unilateral contact and
Coulomb friction and impact (nonsmooth mechanics, contact dynamics,
multibody systems dynamics or granular materials).
- Switched Electrical Circuit such as electrical circuits with ideal
and piecewise linear components: power converter, rectifier,
Phase-Locked Loop (PLL) or Analog-to-Digital converter.
- Sliding mode control systems.
- Biology (Gene regulatory network).
Other applications are found in Systems and Control (hybrid systems,
differential inclusions, optimal control with state constraints),
Optimization (Complementarity systems and Variational inequalities),
Fluid Mechanics, and Computer Graphics.
This package contains tools to allow running, analysing, manipulating,
exporting, and viewing the output of mechanical simulations.
Please cite:
Vincent Acary and Bernard Brogliato:
The SICONOS Platform
:443-488
(2008)
|
|
tessa
??? missing short description for package tessa :-(
|
Versions of package tessa |
Release | Version | Architectures |
stretch | 0.3.1-6.2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
jessie | 0.3.1-6.1 | amd64,armel,armhf,i386 |
Debtags of package tessa: |
field | physics |
interface | commandline |
role | program |
scope | application |
works-with | 3dmodel |
|
License: DFSG free
|
|
|
tessa-mpi
??? missing short description for package tessa-mpi :-(
|
Versions of package tessa-mpi |
Release | Version | Architectures |
jessie | 0.3.1-6.1 | amd64,armel,armhf,i386 |
stretch | 0.3.1-6.2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
Debtags of package tessa-mpi: |
field | physics |
works-with | 3dmodel |
|
License: DFSG free
|
|
|
toulbar2
Exact combinatorial optimization for Graphical Models
|
Versions of package toulbar2 |
Release | Version | Architectures |
sid | 1.2.1+dfsg-0.1 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
buster | 1.0.0+dfsg3-2 | amd64,arm64,armhf,i386 |
bullseye | 1.1.1+dfsg-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.1.1+dfsg-1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
|
License: DFSG free
|
Toulbar2 is an exact discrete optimization tool for Graphical Models
such as Cost Function Networks, Markov Random Fields, Weighted Constraint
Satisfaction Problems and Bayesian Nets.
|
|
v-sim
Wizualizacja struktur atomowych
|
Versions of package v-sim |
Release | Version | Architectures |
stretch | 3.7.2-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
bullseye | 3.7.2-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 3.7.2-9 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 3.7.2-9 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
Debtags of package v-sim: |
field | chemistry, physics |
interface | x11 |
role | program |
science | visualisation |
scope | application |
uitoolkit | gtk |
use | viewing |
x11 | application |
|
License: DFSG free
|
V_Sim wizualizuje struktury atomowe, takie jak kryształy, granice ziaren,
cząsteczki itd. (w formacie binarnym lub w formacie zwykłego tekstu).
Renderowanie odbywa się w pseudo 3D z kulkami (atomami) lub strzałkami
(spinami). Użytkownik może wchodzić w interakcje za pomocą wielu funkcji,
aby wybrać widok, ustawić powiązania, narysować płaszczyzny cięcia,
obliczyć powierzchnie z pól skalarnych, zduplikować węzły, zmierzyć
geometrię itd. Ponadto, V_Sim umożliwia eksportowanie widoku jako obrazu
w formatach PNG, JPG, PDF (bitmapa), SVG (schemat) i innych formatach.
Dostępne są również narzędzia do kolorowania atomów z wartości danych
lub do animowania na ekranie wielu plików pozycji.
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|
Official Debian packages with lower relevance
evolver-nox
Surface Evolver (modelator powierzchni) - bez obsługi X
|
Versions of package evolver-nox |
Release | Version | Architectures |
buster | 2.70+ds-4 | amd64,arm64,armhf,i386 |
stretch | 2.70+ds-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,s390x |
sid | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bookworm | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bullseye | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
|
License: DFSG free
|
Surface Evolver to interaktywny program do modelowania powierzchni cieczy,
kształtowanej pod wpływem różnych sił i napięć.
Pakiet zawiera warianty evolver-a skompilowane z różnymi formatami
zmiennoprzecinkowymi (double, long double, quadruple), ale bez obsługi X.
The package is enhanced by the following packages:
evolver-doc
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|
evolver-ogl
Surface Evolver (modelator powierzchni) - z wyświetlaczem wykorzystującym OpenGL
|
Versions of package evolver-ogl |
Release | Version | Architectures |
bookworm | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
sid | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
trixie | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
bullseye | 2.70+ds-8 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
buster | 2.70+ds-4 | amd64,arm64,armhf,i386 |
stretch | 2.70+ds-2 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,s390x |
|
License: DFSG free
|
Surface Evolver to interaktywny program do modelowania powierzchni cieczy,
kształtowanej pod wpływem różnych sił i napięć.
Pakiet zawiera warianty evolver-a skompilowane z różnymi formatami
zmiennoprzecinkowymi (double, long double, quadruple), i z wyświetlaczem
opartym na OpenGL/GLUT.
The package is enhanced by the following packages:
evolver-doc
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|
feel++-apps
??? missing short description for package feel++-apps :-(
|
Versions of package feel++-apps |
Release | Version | Architectures |
jessie | 0.99.0-final.1-1 | amd64,i386 |
|
License: DFSG free
|
|
|
openctm-tools
Tools for compression of 3D triangle meshes
|
Versions of package openctm-tools |
Release | Version | Architectures |
sid | 1.0.3+dfsg1-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
jessie | 1.0.3+dfsg1-1.1 | amd64,armel,armhf,i386 |
stretch | 1.0.3+dfsg1-1.1 | amd64,arm64,armel,armhf,i386,mips,mips64el,mipsel,ppc64el,s390x |
buster | 1.0.3+dfsg1-2 | amd64,arm64,armhf,i386 |
bullseye | 1.0.3+dfsg1-2.1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
bookworm | 1.0.3+dfsg1-2.1 | amd64,arm64,armel,armhf,i386,mips64el,mipsel,ppc64el,s390x |
trixie | 1.0.3+dfsg1-3 | amd64,arm64,armel,armhf,i386,mips64el,ppc64el,riscv64,s390x |
Debtags of package openctm-tools: |
uitoolkit | gtk |
|
License: DFSG free
|
OpenCTM — the Open Compressed Triangle Mesh file format — is a file format,
a software library and a tool set for compression of 3D triangle meshes.
The geometry is compressed to a fraction of comparable file formats,
and the format is easily accessible through a simple, portable API.
This package contains the programs ctmconv and ctmview, used to convert
and view OpenCTM files.
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paw-demos
Physics Analysis Workstation examples and tests
|
Versions of package paw-demos |
Release | Version | Architectures |
jessie | 2.14.04.dfsg.2-9 | all |
stretch | 2.14.04.dfsg.2-9.1 | all |
buster | 2.14.04.dfsg.2-9.1 | all |
Debtags of package paw-demos: |
devel | examples, testing-qa |
field | physics |
interface | commandline, x11 |
role | program |
x11 | application |
|
License: DFSG free
|
CERNLIB is a suite of data analysis tools and libraries created for
use in physics experiments, but also with applications to other
fields such as the biological sciences.
This package includes example scripts for use by PAW or Paw++, and test
scripts to make sure that the PAW or Paw++ programs behave correctly. You
may run the examples and tests with the included paw-demos program.
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|
science-mathematics
Pakiety naukowe Debiana związane z matematyką
|
Versions of package science-mathematics |
Release | Version | Architectures |
buster | 1.10 | all |
bullseye | 1.14.2 | all |
jessie | 1.4 | all |
sid | 1.14.7 | all |
trixie | 1.14.7 | all |
bookworm | 1.14.5 | all |
stretch | 1.7 | all |
Debtags of package science-mathematics: |
field | mathematics |
role | metapackage |
suite | debian |
|
License: DFSG free
|
Ten metapakiet instaluje pakiety naukowe Debiana związane z matematyką. Niektóre osoby może zainteresować również debtag field::mathematics i, w zależności od zainteresowania, metapakiet education-mathematics.
|
|
science-statistics
Pakiety naukowe Debiana związane ze statystykami
|
Versions of package science-statistics |
Release | Version | Architectures |
jessie | 1.4 | all |
bookworm | 1.14.5 | all |
bullseye | 1.14.2 | all |
stretch | 1.7 | all |
buster | 1.10 | all |
sid | 1.14.7 | all |
trixie | 1.14.7 | all |
Debtags of package science-statistics: |
role | metapackage |
suite | debian |
|
License: DFSG free
|
Ten metapakiet jest częścią zestawu naukowego Debiana (Debian Pure Blend
"Debian Science") i instaluje pakiety związane z obliczeniami
statystycznymi. Zadania takie są powszechne i przydatne dla każdej
działalności naukowej. Pakiet zależy od wielu pakietów R, a także od innych
narzędzi przydatnych do tworzenia statystyk. Ponadto, sugerowane są zadania
z matematyki naukowej, co wymaga dodatkowej instalacji odpowiedniego
oprogramowania matematycznego.
|
|
Packaging has started and developers might try the packaging code in VCS
fdmnes
calculates spectra of different spectroscopies
|
Versions of package fdmnes |
Release | Version | Architectures |
VCS | 0.0.20120607-1 | all |
|
License: To-be-clarified
Version: 0.0.20120607-1
|
FDMNES calculates the spectra of different spectroscopies related to
the real or virtual absorption of x-ray in material. It gives the
absorption cross sections of photons around the ionization edge, that is
in the energy range of XANES in the EXAFS. The calculation is performed
with all conditions of rectilinear or circular polarization. In the same
way, it calculates the structure factors and intensities of anomalous or
resonant diffraction spectra (DAFS or RXD). FDMNES also allows the
comparison of the simulated spectra to experimental ones with the help
of objective criteria.
|
geant4
physics simulation toolkit
|
Versions of package geant4 |
Release | Version | Architectures |
VCS | 11.0.1+ds-1 | all |
|
License: G4SL-1.0
Debian package not available
Version: 11.0.1+ds-1
|
Geant4 is a toolkit for the simulation of the passage of particles through
matter. Its areas of application include high energy, nuclear and accelerator
physics, as well as studies in medical and space science.
This is a metapackage depending on all libraries.
|
Unofficial packages built by somebody else
octaviz
3D visualization system for Octave
|
|
License: unknown
|
Octaviz is a visualization system for Octave. It is a wrapper that
makes all VTK classes accessible from within Octave using the same
object-oriented syntax as in C++ or Python. Octaviz also provides
high-level functions for 2D and 3D visualization. Using those
functions, most common visualization tasks (3D surface plots, contour
plots etc) can be accomplished without any knowledge about VTK.
|
No known packages available but some record of interest (WNPP bug)
library for solving large sparse eigenproblems
|
|
License: BSD
Debian package not available
|
BLZPACK (for Block LancZos PACKage, release 04/00) is a standard Fortran 77
implementation of the block Lanczos algorithm intended for the solution of the
standard eigenvalue problem Ax=µx or the generalized eigenvalue problem
Ax=µBx, where A and B are real, sparse symmetric matrices, µ an eigenvalue and
x an eigenvector.
The development of this eigensolver was motivated by the need to solve large,
sparse, generalized problems from free vibration analyses in structural
engineering. Several upgrades were performed afterwards aiming at the solution
of eigenvalues problems from a wider range of applications.
Documentation: user's guide, technical report and comprehensive bibliography.
Install this package if you need to compile or link against BLZPACK.
|
Class Library for High Energy Physics
|
|
License: GPL-3, LGPL-3
Debian package not available
Language: C++
|
The CLHEP package is a set of High Energy Physics specific foundation
and utility classes such as random generators, physics vectors,
geometry and linear algebra.
|
Geant4 Application for Emission Tomography
|
|
License: LGPL
Debian package not available
|
GATE incorporates the Geant4 libraries in a modular, versatile, and
scripted simulation toolkit which is adapted to the field of nuclear
medicine both in PET (Positron Emission Tomography) and SPECT (Single
Photon Emission Computer Tomography). It allows the accurate description
of time-dependent phenomena such as source or detector movement and
source decay kinetics. The ability to synchronize all time-dependent
components allows a coherent description of the acquisition process. It
makes it possible to perform realistic simulations of data acquisitions
in time.
|
No known packages available
espresso++
Extensible Simulation Package for Research on Soft matter
|
|
License: Not yet known (hopefully free)
Debian package not available
|
ESPResSo is a highly versatile software package for the scientific
simulation and analysis of coarse-grained atomistic or bead-spring
models as they are used in soft matter research, with emphasis on
charged systems.
|
jfreemesh
|
|
License: QPL
Debian package not available
|
JFreeMesh is a 3D mesh library written in Java and providing a high level API
for mesh manipulation. JFreeMesh is based on a descending mesh data structure
but simulate a full connectivity mesh by providing optimized method to access
to any upper mesh element by using the global mesh methods. Therefore,
JFreeMesh allows to load a large amount of mesh elements for a small memory
foot print. JFreeMesh comes with a default mesh loader based on the GMSH file
format and provides, through the JFreeMesh-VTK package, an exporter to VTK.
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spis
Software toolkit for spacecraft-plasma interactions modelling
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License: GPL
Debian package not available
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JSPIS stands for Spacecraft Plasma Interaction System. SPIS project aims at
developing a software toolkit for spacecraft-plasma interactions modelling.
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