Pacote: votca (2024.2-4)

Links para votca

Rastreador de patch eLxr

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Pagina principal [www.votca.org]

Pacotes similares:

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).

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program options library for C++
dep: libc6 (>= 2.38)

GNU C Library: Shared libraries
também um pacote virtual fornecido por libc6-udeb
dep: libgcc-s1 (>= 3.0)

GCC support library
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 Standard C++ Library v3
dep: libvotca-2024 (>= 2024.2)

VOTCA molecular dynamics analysis - shared libraries
dep: votca-data (= 2024.2-4)

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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