FreeBSD.software
Home/science/gbtolib

gbtolib

3.0.3_5

High-performance library for evaluation of molecular integrals

GBTOlib: a high-performance library for evaluation of molecular integrals.

Origin: science/gbtolib
Category: science
Size: 2.36MiB
License: GPLv3
Maintainer: yuri@FreeBSD.org
Dependencies: 2 packages
Required by: 1 packages
Website: zenodo.org/record/5798035
$pkg install gbtolib

Dependencies (2)

openblasgcc14

Required By (1 packages)

ukrmol+

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