votca

Molecular dynamics analysis - coarse-graining and charge transport

Command lineScience

Not tested on a device yet. What that means

Commands in the package

csg_boltzmann
csg_call
csg_density
csg_dlptopol
csg_fluctuations
csg_fmatch
csg_gmxtopol
csg_imc_solve
csg_inverse
csg_map
csg_orientcorr
csg_part_dist
csg_partial_rdf
csg_property
csg_radii
csg_resample
csg_reupdate
csg_sphericalorder
csg_stat
csg_traj_force
votca_property
xtp_autogen_mapping
xtp_basisset
xtp_map
xtp_modify_jobfile
xtp_parallel
xtp_qmmm2qm
xtp_run
xtp_tools
xtp_update_mapfile

About votca

From Debian's package description

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).

From Debian's description of the votca package, under that package's license.

Dependencies

Depends on

votca-data
libboost-program-options1.83.0
libc6
libgcc-s1
libgomp1
libhdf5-310
libhdf5-cpp-310
libstdc++6
libvotca-2024

Recommends

python3

Related apps

All Linux science apps

Sources and licenses

Name: the Debian package name.
Summary: Debian's short description of the votca package, under that package's license.
Description: Debian's description of the votca package, under that package's license.
Versions and sizes: Debian's archive for ARM64, as on packages.debian.org.
Popularity: Debian Popularity Contest counts.