Anthony Scemama 72eb1ce5c3 Added Angstrom

2018-01-18 14:56:08 +01:00

Basis

Working on input

2018-01-18 00:21:05 +01:00

Nuclei

Added Angstrom

2018-01-18 14:56:08 +01:00

Utils

Added Angstrom

2018-01-18 14:56:08 +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 input

2018-01-18 00:21:05 +01:00

run_integrals.ml

Added Angstrom

2018-01-18 14:56:08 +01:00

Description

Quantum chemistry written with OCaml

ocamlpost-hf

GPL-3.0 14 MiB

Languages

Jupyter Notebook 53.1%

OCaml 46.6%

CSS 0.2%