Paket: votca (2024.2-2) [debports]

[ Källkod:  ]

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).

Andra paket besläktade med votca

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

  program options library for C++

• dep: libc6 (>= 2.38)

  GNU C-bibliotek: Delade bibliotek
  också ett virtuellt paket som tillhandahålls av libc6-udeb

• dep: libgcc-s1 (>= 3.0)

  GCC stödbibliotek

• dep: libgomp1 (>= 4.9)

  GCC OpenMP (GOMP) support library

• dep: libhdf5-310 (>= 1.14.3)

  HDF5 C runtime files - serial version

• dep: libhdf5-cpp-310 (>= 1.14.4.3)

  HDF5 - C++ runtime files - serial version

• dep: libstdc++6 (>= 14)

  GNU standardbibliotek v3 för C++

• dep: libvotca-2024 (>= 2024.2)

  VOTCA molecular dynamics analysis - shared libraries

• dep: votca-data (= 2024.2-2)

  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

Hämta votca

Hämtningar för alla tillgängliga arkitekturer

Arkitektur	Paketstorlek	Installerad storlek	Filer
ppc64 (inofficiell anpassning)	597,4 kbyte	4.543,0 kbyte	[filförteckning]