24 Commits

Author	SHA1	Message	Date
Anthony Scemama	2da264acd1	Fixed OCaml	2017-09-13 20:44:12 +02:00
Anthony Scemama	53bca8fc92	Fixed EZFIO.cfg	2017-09-13 17:37:54 +02:00
Anthony Scemama	8523096a90	Modified for ocaml 4.04	2017-08-18 18:28:33 +02:00
Anthony Scemama	673747d530	Changed Primitive.ml into GaussianPrimitive.ml	2017-05-31 23:47:18 +02:00
Anthony Scemama	d6b970e8a7	Auto-generation of libint required files	2016-03-22 13:28:03 +01:00
Anthony Scemama	8a566b1e63	Implemented Spherical AOs	2016-01-27 00:19:08 +01:00
Anthony Scemama	2365aeb4da	save energy in ezfio	2015-01-06 19:12:17 +01:00
Anthony Scemama	e3fff202b8	Added MD5 key in AOs for check in MOs	2014-12-26 00:17:34 +01:00
Anthony Scemama	0b40cf663a	Improved qp_edit	2014-11-27 23:05:26 +01:00
Anthony Scemama	a6fa9b1fb6	Added AO_basis_name.t	2014-11-16 18:24:20 +01:00
Anthony Scemama	f9fe342c58	Input_nuclei is written by qp_edit	2014-11-03 22:24:40 +01:00
Anthony Scemama	aa682e3311	Accelerated EZFIO in ocaml. === UPDATE EZFIO to 1.1.9 ===	2014-11-03 17:37:16 +01:00
Anthony Scemama	90ccf82824	Print ao symmetries	2014-10-31 23:05:41 +01:00
Anthony Scemama	6716a996cd	Less EZFIO I/O	2014-10-30 16:26:31 +01:00
Anthony Scemama	beb5e55481	Introduces Rst_string type	2014-10-29 22:13:03 +01:00
Anthony Scemama	b74a8f1035	Working on qp_edit	2014-10-29 00:12:45 +01:00
Anthony Scemama	82a285774c	Bug in psi_det N_det psi_coef	2014-10-28 17:16:51 +01:00
Anthony Scemama	3fd80125e4	Added lots of mli files for better error messages	2014-10-26 17:35:39 +01:00
Anthony Scemama	6998c27b6e	Improved AO basis printing	2014-10-26 12:46:17 +01:00
Anthony Scemama	0a9de3c23a	Added s-expressions (sexplib)	2014-10-25 21:24:21 +02:00
Anthony Scemama	abb8967d63	Added Input_hartree_fock.ml	2014-10-22 00:12:23 +02:00
Anthony Scemama	ede29e4284	Added Input_full_ci.ml	2014-10-21 23:32:47 +02:00
Anthony Scemama	161e54ad15	Working on ocaml input	2014-10-18 00:10:25 +02:00
Anthony Scemama	844553e9e2	Added bielec_integrals input in ocaml	2014-10-17 22:25:45 +02:00