17 Commits

Author	SHA1	Message	Date
Kevin Gasperich	464a6d70c4	resolved dev kpts merge	2020-06-16 10:38:27 -05:00
Kevin Gasperich	ca7321fdc7	kpt_num interface and deinit map 2	2020-05-28 14:55:36 -05:00
Anthony Scemama	a90b446beb	Fixed floating-point exceptions	2020-05-25 19:22:10 +02:00
Anthony Scemama	9c52a612dd	Interatomic distance	2020-05-25 09:29:57 +02:00
Anthony Scemama	c614cb3922	Fixed conversion	2020-05-15 15:12:39 +02:00
Kevin Gasperich	9fa523fe66	fixed kpts cipsi	2020-03-26 11:30:15 -05:00
Anthony Scemama	717b35cf38	Renaming complex -> cplx	2020-03-05 09:06:29 +01:00
Kevin Gasperich	4374145954	rename periodic -> complex	2020-02-11 18:23:34 -06:00
Kevin Gasperich	3ca3dc3061	working on complex 3-index integrals	2020-02-11 17:35:28 -06:00
Kevin Gasperich	b39a7895f4	added kconserv array	2020-02-03 16:46:12 -06:00
Kevin Gasperich	f65b7c0ead	minor name change	2019-12-09 12:16:48 -06:00
Anthony Scemama	46d61b4117	Added imaginary EZFIO arrays for one-e	2019-12-02 18:18:30 +01:00
Emmanuel Giner LCT	2e32cd2267	changed some radiis for DFT	2019-08-30 20:00:29 +02:00
Anthony Scemama	bf96d8c0c8	Renamed disk_access_nuclear_repulsion	2019-07-23 14:54:03 +02:00
Anthony Scemama	96c17686b4	fixed bugs with dummy atom and becke grid	2019-05-28 18:49:21 +02:00
Emmanuel Giner	02968f569e	fixed bug for dummy atoms X	2019-03-27 12:56:32 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00