Quantum chemistry written with OCaml

ocamlpost-hf

Anthony Scemama bba7b6e8e4 Optimizations		2018-01-19 20:20:19 +01:00
Basis	Cleaning	2018-01-19 18:18:11 +01:00
Nuclei	Optimized ERIs	2018-01-19 03:14:06 +01:00
Utils	Optimizations	2018-01-19 20:20:19 +01:00
.gitignore	Lexer/Parser for basis sets	2017-12-30 19:06:07 +01:00
Makefile	Changed float array to tuple in Coordinate	2018-01-19 18:11:03 +01:00
_tags	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
run_integrals.ml	Optimizations	2018-01-19 20:20:19 +01:00