11 Commits

Author	SHA1	Message	Date
Emmanuel Giner LCT	6db77c320b	parallel sections for dft_utils_in_r	2020-04-05 13:58:17 +02:00
Emmanuel Giner	192854f771	minor cleaning in dft_utils_in_r	2020-03-27 18:06:31 +01:00
Emmanuel Giner	50123076a0	cleaning and renamed a lot of stuffs in dft and density matrices	2020-03-23 01:19:30 +01:00
Emmanuel Giner	26474d9c46	cleaning in dft_utils_in_r	2020-03-22 21:59:21 +01:00
Emmanuel Giner LCT	71c186e67a	added gradients of the squared of the total density	2019-06-04 19:35:09 +02:00
Emmanuel Giner LCT	76ead1cdfb	added ec_lyp	2019-05-28 19:31:47 +02:00
Emmanuel Giner	02968f569e	fixed bug for dummy atoms X	2019-03-27 12:56:32 +01:00
Emmanuel Giner	b60c235623	added no core densities	2019-03-19 17:09:36 +01:00
Emmanuel Giner	e124406413	bug fixed in dev-lct	2019-03-12 16:27:48 +01:00
Anthony Scemama	f4bff28cd1	Warnings in documentation	2019-01-29 17:09:08 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00