18 Commits

Author	SHA1	Message	Date
Anthony Scemama	5c957cf1f2	Merged eginer-master	2015-03-19 21:14:52 +01:00
Manu	6a6c197b9a	updated NEEDED_MODULES in src repository	2015-03-18 11:35:16 +01:00
Anthony Scemama	9676f62674	A lot of cleaning. Removed CIS_dressed.	2015-01-15 14:00:00 +01:00
Manu	04206f8d31	mend	2015-01-09 17:11:31 +01:00
Manu	0242bf9303	Molden interface	2015-01-07 16:52:58 +01:00
Anthony Scemama	1f17af5306	NEEDS IRPF90 1.4.1 -- Cleaned all PROVIDEs	2014-10-08 23:24:55 +02:00
Anthony Scemama	0fb0b9e2ec	Put do_mono/diexcitations in generate_h_apply.py	2014-06-20 15:23:04 +02:00
Anthony Scemama	5c7a4da88d	Setup environment repaired	2014-06-07 16:44:37 +02:00
Anthony Scemama	a67225a1a3	Accelerated det_connections	2014-06-02 18:21:17 +02:00
Manu	868ef807bd	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
Anthony Scemama	64a14b52e9	Selection and perturbation work. Introduced new tests.	2014-05-24 02:39:18 +02:00
Anthony Scemama	62811d792b	Bug in Lowdin orthonormalization openMP	2014-05-21 18:35:14 +02:00
Manu	3b18250977	CIS(DT) works	2014-05-19 18:35:56 +02:00
Anthony Scemama	13ee3531ee	Acceleration of filter_connected and Davidson	2014-05-16 09:42:28 +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	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