15 Commits

Author	SHA1	Message	Date
Anthony Scemama	9bffc0883b	Added molecule in ocaml	2014-08-24 20:00:26 +02:00
Manu	ce7ee6cc6f	Fixed bug in FCI	2014-07-16 15:35:51 +02:00
Anthony Scemama	33e8f41268	Save wavefunction	2014-06-07 22:07:50 +02:00
Anthony Scemama	59c37a79ff	Update documentation	2014-05-14 00:10:03 +02:00
Anthony Scemama	b02cfe8dc3	CISD OK	2014-05-13 13:57:58 +02:00
Anthony Scemama	c03132b4f9	Minor changes in Hartree-Fock	2014-04-24 12:31:15 +02:00
Anthony Scemama	0764aa259d	Added Mono Integrals. Works in openMP	2014-04-16 22:16:32 +02:00
Anthony Scemama	585eb90a77	rst format in output directory	2014-04-11 01:53:15 +02:00
Anthony Scemama	65ffb4ad5f	Setup testing environment	2014-04-07 16:56:29 +02:00
Anthony Scemama	166df2ba8d	Auto-update README.rst	2014-04-04 00:41:43 +02:00
Anthony Scemama	ef42d6ebc4	Simplified Makefiles	2014-04-03 13:59:51 +02:00
Anthony Scemama	20ed8c923a	Simplified Makefiles	2014-04-03 11:28:54 +02:00
Anthony Scemama	f9f3fac7ff	Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES	2014-04-03 11:19:41 +02:00
Anthony Scemama	a89f032e15	Added MOs and bitmasks	2014-04-03 01:59:48 +02:00
Anthony Scemama	6c29d22aa2	Added Utils, Electrons, Ezfio, Nuclei, include, AOs.	2014-04-01 18:38:51 +02:00