FreeBSD.software
Home/science/dftd3

dftd3

3.2.0.3_1

S. Grimme's dispersion correction for DFT, Hartree-Fock methods

S. Grimme's dispersion correction for DFT, Hartree-Fock, and semi-empirical quantum chemical methods.

Origin: science/dftd3
Category: science
Size: 1.50MiB
License: GPLv1+
Maintainer: yuri@FreeBSD.org
Dependencies: 1 packages
Required by: 0 packages
Website: www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3
$pkg install dftd3

Dependencies (1)

gcc14

More in science

py311-scipy1.11.1_4,1
Scientific tools for Python
hdf51.12.2_2,1
Hierarchical Data Format library (from NCSA) (latest)
py311-scikit-learn1.7.2
Machine learning algorithms for python
libaec1.1.4
Adaptive entropy coding library
netcdf4.9.3
C library for machine-independent, array-oriented data access
py311-h5py3.15.1
General-purpose Python interface to the HDF5 library
p5-Chemistry-Mol0.40
Perl toolkit to describe molecules
libxc6.2.2
Library of exchange-correlation functionals for DFT
py311-libpysal4.13.0
Core components of PySAL A library of spatial analysis functions
py311-dimod0.12.21
DWave: Shared API for QUBO/Ising samplers