21 Commits

Author	SHA1	Message	Date
Anthony Scemama	d6ec67e840	Fixed Full CAS-SD	2015-05-06 17:01:45 +02:00
Thomas Applencourt	1a9ced8f25	Merge with ao_normalized_ordered_....	2015-05-04 19:05:28 +02:00
Thomas Applencourt	a531fa6b29	Add Pseudo_integrals folder	2015-05-02 12:58:21 +02:00
Thomas Applencourt	be4db7c56d	delete the **** parameters	2015-04-28 17:18:19 +02:00
Anthony Scemama	14d59648af	Changed ao_coef to ao_coef_normalized_ordered	2015-04-25 01:10:02 +02:00
Thomas Applencourt	cda3a5ee9c	Working !	2015-04-21 17:43:03 +02:00
Thomas Applencourt	fbab2d613e	New version of int.f90 for big alpha but not to much	2015-04-21 10:23:03 +02:00
Thomas Applencourt	1fc1124d95	Remove open mp and add tmp array	2015-04-16 09:41:16 +02:00
Thomas Applencourt	4a82305042	Print debug for n !!	2015-04-14 09:26:58 +02:00
Thomas Applencourt	79ee1f5a08	Working for the LOCAL part of NaCl	2015-04-13 18:50:37 +02:00
Thomas Applencourt	268b252e11	Working for Li2 but with **WARNING** bad convergence in int_prod_bessel	2015-04-13 18:38:46 +02:00
Thomas Applencourt	25f3b2ee01	Working for Li2 but with **WARNING** bad convergence in int_prod_bessel	2015-04-13 15:04:27 +02:00
Thomas Applencourt	c1d69942c0	working bug ugly pot_ao_ints	2015-04-10 16:02:21 +02:00
Thomas Applencourt	1cb79a58a4	Realy ugly (need to use create_ez and set alpha and beta), but working	2015-04-10 09:43:28 +02:00
Thomas Applencourt	64ea60c727	Working Local	2015-04-07 16:59:42 +02:00
Thomas Applencourt	ef65e3e513	New int.f90 working with A=B=C	2015-04-07 10:27:22 +02:00
Anthony Scemama	5c957cf1f2	Merged eginer-master	2015-03-19 21:14:52 +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
Manu	868ef807bd	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
Anthony Scemama	0764aa259d	Added Mono Integrals. Works in openMP	2014-04-16 22:16:32 +02:00