Paketti: votca (2024.1-1)

[ Source: votca  ]

Molecular dynamics analysis - coarse-graining and charge transport

Versatile Object-Oriented Toolkit for Coarse-Graining Applications (VOTCA) is a modeling package for the analysis of molecular dynamics data, the development of systematic coarse-graining techniques, and methods used for simulating microscopic charge transport in disordered semiconductors.

Numerous molecular dynamics packages, including but not limited to GROMACS, ESPREesSo, and LAMPPS, can be used together with VOTCA.

This package contains user programs for the coarse-graining toolkit (CSG) and excitation transport toolkit (XTP).

Muut pakettiin votca liittyvät paketit

• dep: libboost-program-options1.83.0 (>= 1.83.0)

  program options library for C++

• dep: libc6 (>= 2.38)

  GNU-C-kirjasto: jaetut kirjastot
  myös näennäispaketti, jonka toteuttaa libc6-udeb

• dep: libgcc-s1 (>= 3.0) [ei riscv64]

  GCC:n apukirjasto

  dep: libgcc-s1 (>= 3.4) [riscv64]

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libhdf5-103-1t64

  HDF5 C runtime files - serial version

• dep: libhdf5-cpp-103-1t64 (>= 1.10.8)

  HDF5 - C++ runtime files - serial version

• dep: libstdc++6 (>= 14)

  GNU standardi C++ -kirjasto, versio 3

• dep: libvotca-2024 (>= 2024.1)

  VOTCA molecular dynamics analysis - shared libraries

• dep: votca-data (= 2024.1-1)

  VOTCA molecular dynamics analysis - basis sets and scripts

• rec: python3

  interactive high-level object-oriented language (default python3 version)

• sug: votca-tutorials

  VOTCA molecular dynamics analysis - tutorials

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Arkkitehtuuri	Paketin koko	Koko asennettuna	Tiedostot
amd64	636.3 kt	3,371.0 kt	[tiedostoluettelo]
arm64	581.3 kt	3,987.0 kt	[tiedostoluettelo]
mips64el	563.4 kt	4,286.0 kt	[tiedostoluettelo]
ppc64el	641.5 kt	4,499.0 kt	[tiedostoluettelo]
riscv64	598.3 kt	2,663.0 kt	[tiedostoluettelo]
s390x	590.5 kt	3,215.0 kt	[tiedostoluettelo]