GitHub - Akshit-p/GaussRate: Matlab project using HF and DFT to approximate molecular orbitals and energies of small molecules

Name		Name	Last commit message	Last commit date
Latest commit History 14 Commits
basissets		basissets
atomic_grid.m		atomic_grid.m
basisread.m		basisread.m
boysF.m		boysF.m
buildbasis.m		buildbasis.m
eri_primitive_fast.m		eri_primitive_fast.m
eval_bf.m		eval_bf.m
int_attraction.m		int_attraction.m
int_kinenergy.m		int_kinenergy.m
int_overlap.m		int_overlap.m
int_repulsion.m		int_repulsion.m
int_xc.m		int_xc.m
lebedev_grid.m		lebedev_grid.m
mocalc.m		mocalc.m
molecular_grid.m		molecular_grid.m
moplot.m		moplot.m
moplot_test.m		moplot_test.m
motest.m		motest.m
motest.mat		motest.mat
nucnucrepulsion.m		nucnucrepulsion.m
overlap_primitive.m		overlap_primitive.m
partitionweights.m		partitionweights.m