12 Commits

Author	SHA1	Message	Date
Anthony Scemama	ed1253f629	Sort indices for faster access in RDM	2025-02-25 18:09:57 +01:00
eginer	25e98da2d6	added mo_in_r on extra grid	2025-02-07 18:38:52 +01:00
eginer	c6a6163944	added f_hf with cholesky by default	2024-05-16 18:03:55 +02:00
Emmanuel Giner	a65902aa33	fixed bug in Laplacians	2022-01-25 18:20:03 +01:00
Emmanuel Giner	181636e8a5	added some gradients of mos transposed	2021-06-18 15:16:59 +02:00
Emmanuel Giner	ca2b58b495	fixed two rdms	2021-06-03 14:57:45 +02:00
Emmanuel Giner	01b1ee3273	fixed bug in laplacians	2020-10-07 11:03:23 +02:00
Emmanuel Giner	ee267e27e9	minor modifs	2020-09-21 15:38:26 +02:00
Emmanuel Giner LCT	6db77c320b	parallel sections for dft_utils_in_r	2020-04-05 13:58:17 +02:00
Emmanuel Giner LCT	2e32cd2267	changed some radiis for DFT	2019-08-30 20:00:29 +02:00
Emmanuel Giner LCT	244b130a72	added scan functional	2019-06-13 15:58:04 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00