19 Commits

Author	SHA1	Message	Date
eginer	1e886ac128	implemented the f_hf_sparse for open systems in basis set correction	2024-05-27 10:21:29 +02:00
eginer	11660aa7ba	updated dft_utils_func/on_top_from_ueg.irp.f	2023-09-21 15:24:51 +02:00
eginer	8817145e27	minor modifs	2023-02-13 20:12:33 +01:00
FiletoRodriguez	af169a4e3c	Added grad_rho	2021-11-09 15:48:49 +01:00
Fileto Rodriguez	416cd45d7a	added mu of r grad_rho	2021-10-22 12:18:01 +02:00
Emmanuel Giner	2125cd69ab	added mu(rsc)	2021-10-07 23:05:43 +02:00
Emmanuel Giner	91937d5346	removed zero in b/src/dft_utils_func/on_top_from_ueg.irp.f	2021-09-22 17:39:06 +02:00
Emmanuel Giner	0850fa6f72	fixed bug in g0_UEG_mu_inf, src/dft_utils_func/on_top_from_ueg.irp.f	2020-06-08 15:17:53 +02:00
Emmanuel Giner	4244e0b27e	removed FPE in g0_UEG_mu_inf, src/dft_utils_func/on_top_from_ueg.irp.f	2020-06-08 14:52:23 +02:00
Emmanuel Giner	f35faaba9c	fixed the ao effective potential in DFT	2020-06-08 14:47:19 +02:00
Emmanuel Giner	3987b9794d	removed a lot of floating point exceptions in DFT	2020-06-08 12:52:08 +02:00
Emmanuel Giner	ff15a50895	removed a floating point exception in routines_exc_sr_lda.irp.f	2020-06-08 12:24:35 +02:00
Emmanuel Giner	408257dbfd	removed a floating point exception in routines_exc_sr_lda.irp.f	2020-06-08 12:00:25 +02:00
Emmanuel Giner	48b0952b55	removed floating points exceptions in DFT	2020-06-06 18:07:26 +02:00
Anthony Scemama	512525508b	Fixed division by zero in RSDFT	2020-05-20 11:45:41 +02:00
Emmanuel Giner	88031a9968	minor modifs for small ot	2020-04-23 12:42:06 +02:00
Emmanuel Giner	e061ab18d9	added some functions in on_top_from_ueg.irp.f	2020-04-14 17:45:01 +02:00
Emmanuel Giner	316bc009c1	renaming done for dft	2020-04-07 12:25:00 +02:00
Emmanuel Giner	1aab926b66	beginning to reorganise stuffs	2020-04-07 12:19:17 +02:00