13 Commits

Author	SHA1	Message	Date
Anthony Scemama	9bce6b8a2e	Added default for n_int in ocaml	2014-09-17 11:49:00 +02:00
Anthony Scemama	a4688e7500	Bitmasks OK	2014-09-17 00:39:21 +02:00
Anthony Scemama	5deb211473	Renaming of ocaml modules with capital letters	2014-09-16 23:17:22 +02:00
Anthony Scemama	cb509d2d93	Changing qp_set_mo_class.ml. Not finished yet	2014-09-16 18:58:42 +02:00
Anthony Scemama	7a9316df55	Corrected create_ezfio_from_xyz.ml	2014-09-10 15:11:40 +02:00
Anthony Scemama	563a8bea4d	Added xyz types in symmetry (ocaml)	2014-08-27 16:38:13 +02:00
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