12 Commits

Author	SHA1	Message	Date
Anthony Scemama	34cdca5927	Alternate basis in qp_create_ezfio_from_xyz	2014-11-15 11:01:30 +01:00
Anthony Scemama	6716a996cd	Less EZFIO I/O	2014-10-30 16:26:31 +01:00
Anthony Scemama	3fd80125e4	Added lots of mli files for better error messages	2014-10-26 17:35:39 +01:00
Anthony Scemama	6f745a6e25	Corrected bugs in ocaml	2014-10-23 14:42:14 +02:00
Anthony Scemama	161e54ad15	Working on ocaml input	2014-10-18 00:10:25 +02:00
Anthony Scemama	6eaadc9b0c	Update create_ezfio_fom_xyz to add basis set name	2014-10-09 10:47:08 +02:00
Anthony Scemama	e7b81a11de	Added qp_print.ml	2014-10-07 19:33:11 +02:00
Anthony Scemama	0fb8c3b7ae	xyz to ezfio works	2014-09-18 17:01:43 +02:00
Anthony Scemama	ad9107ec85	Working on the basis set in xyz->ezfio	2014-09-17 23:47:13 +02:00
Anthony Scemama	6955bbe816	Modifying qp_create_ezfio_from_xyz.ml	2014-09-17 22:15:39 +02:00
Anthony Scemama	61d54ffbfc	Added Long_basis in ocaml	2014-09-17 14:57:28 +02:00
Anthony Scemama	cb509d2d93	Changing qp_set_mo_class.ml. Not finished yet	2014-09-16 18:58:42 +02:00