257 Commits

Author	SHA1	Message	Date
Anthony Scemama	19fbdd88c6	Added set_mo_class ocaml script	2014-08-26 15:31:16 +02:00
Anthony Scemama	caafe823be	Added Molecule.of_xyz_file	2014-08-26 14:39:23 +02:00
Anthony Scemama	9bffc0883b	Added molecule in ocaml	2014-08-24 20:00:26 +02:00
Anthony Scemama	ef7f80016c	Some utilities for input	2014-08-23 17:07:47 +02:00
Anthony Scemama	0cdae777d5	Function to read the basis of an element	2014-08-23 16:18:19 +02:00
Anthony Scemama	256efa75b8	Added GTOs in Ocaml	2014-08-13 17:54:32 +02:00
Anthony Scemama	7c8a66c6e9	Added cc-pVDZ basis set and periodic table data	2014-08-13 16:00:52 +02:00