nwchem-data
7.3.1Data for NWChem, the computational chemistry software
The data package for NWChem, the quantum chemistry software. Data contains basis sets descriptions, pseudopotentials, various related data libraries needed for NWChem operation.
Origin: science/nwchem-data
Category: science
Size: 45.9MiB
License: ECL20
Maintainer: yuri@FreeBSD.org
Dependencies: 0 packages
Required by: 1 packages
Website: nwchemgit.github.io
$
pkg install nwchem-dataRequired By (1 packages)
More in science
py311-scipy1.11.1_4,1
Scientific tools for Pythonhdf51.12.2_2,1
Hierarchical Data Format library (from NCSA) (latest)py311-scikit-learn1.7.2
Machine learning algorithms for pythonlibaec1.1.4
Adaptive entropy coding librarynetcdf4.9.3
C library for machine-independent, array-oriented data accesspy311-h5py3.15.1
General-purpose Python interface to the HDF5 libraryp5-Chemistry-Mol0.40
Perl toolkit to describe moleculeslibxc6.2.2
Library of exchange-correlation functionals for DFTpy311-libpysal4.13.0
Core components of PySAL A library of spatial analysis functionspy311-dimod0.12.21
DWave: Shared API for QUBO/Ising samplers