Quantum chemistry written with OCaml

ocamlpost-hf

Anthony Scemama 9c9fc0a9e6 Small optimizations		2018-01-30 14:51:37 +01:00
Basis	Small optimizations	2018-01-30 14:51:37 +01:00
Nuclei	Inserted overlap	2018-01-22 23:19:24 +01:00
Utils	Accelerated HRR and VRR	2018-01-24 16:29:48 +01:00
.gitignore	Lexer/Parser for basis sets	2017-12-30 19:06:07 +01:00
Makefile	Optimizations	2018-01-29 23:44:48 +01:00
_tags	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
run_integrals.ml	Small optimizations	2018-01-30 14:51:37 +01:00