13 Commits

Author	SHA1	Message	Date
Anthony Scemama	ea1a4523c1	Added ~mo_tot_num in MO_number.of_int	2014-10-30 12:25:20 +01:00
Manu	985562b645	Merge branch 'master' of github.com:LCPQ/quantum_package ... Conflicts: src/MOGuess/NEEDED_MODULES	2014-06-26 15:02:33 +02:00
Anthony Scemama	ff86d51c5f	Hartree-Fock works well	2014-06-25 14:58:58 +02:00
Manu	fee0041769	Merge branch 'master' of github.com:LCPQ/quantum_package ... Conflicts: src/MOGuess/NEEDED_MODULES	2014-06-25 00:14:04 +02:00
Manu	3956533b84	add NEEDED_MODULES in MOguess	2014-06-25 00:13:17 +02:00
Anthony Scemama	62a5e15126	Merge branch 'master' of github.com:LCPQ/quantum_package ... Conflicts: src/Hartree_Fock/HF_density_matrix_ao.irp.f src/Hartree_Fock/mo_SCF_iterations.irp.f src/MOs/cholesky_mo.irp.f	2014-06-19 22:42:49 +02:00
Anthony Scemama	89a7e3a644	DIIS on the way...	2014-06-19 17:58:45 +02:00
Anthony Scemama	40df4452cf	Added missing NEEDED_MODULES	2014-06-12 16:21:20 +02:00
Anthony Scemama	62811d792b	Bug in Lowdin orthonormalization openMP	2014-05-21 18:35:14 +02:00
Anthony Scemama	3e7c65d858	Updated documentation	2014-05-14 00:01:31 +02:00
Anthony Scemama	b02cfe8dc3	CISD OK	2014-05-13 13:57:58 +02:00
Anthony Scemama	54d0f4161e	Corrected OpenMP bugs	2014-04-26 01:18:26 +02:00
Anthony Scemama	cd418ee484	Added Bi-electronic integrals module	2014-04-17 23:50:51 +02:00