Quantum chemistry written with OCaml

ocamlpost-hf

Anthony Scemama fdf6b02043 Accelerated Zkey		2018-01-23 23:52:57 +01:00
Basis	Schwartz	2018-01-23 19:26:28 +01:00
Nuclei	Inserted overlap	2018-01-22 23:19:24 +01:00
Utils	Accelerated Zkey	2018-01-23 23:52:57 +01:00
_tags	Reading both XYZ and Zmatrix	2018-01-17 15:56:57 +01:00
.gitignore	Lexer/Parser for basis sets	2017-12-30 19:06:07 +01:00
Makefile	Working on 1e integrals	2018-01-22 15:27:41 +01:00
run_integrals.ml	Inserted overlap	2018-01-22 23:19:24 +01:00