12 Commits

Author	SHA1	Message	Date
Paolo Giannozzi	2b1326f42c	Again a small problem	2023-10-24 12:07:25 +02:00
Paolo Giannozzi	9155f435ad	More upflib cleanup ... Implies a small change to EPW - see my comments	2023-10-24 11:11:05 +02:00
Paolo Giannozzi	7ad0596fbf	Ultrasoft PP cleanup ... - calculation of Q(G=0) and Q(k) moved to subroutines compute_qq*, many direct calls to qvan2 removed - init_us_1 simplified, useless arguments removed. Beware: several calls had to be updated Please check correct functioning of EPW, TD-DFPT, QEHeat	2023-10-20 17:05:10 +02:00
Paolo Giannozzi	609bdf49a1	qvan2 and qvan2_gpu merged	2023-06-28 15:44:28 +02:00
Paolo Giannozzi	869c1bc1c1	[skip-CI] qvan2 same as qvan2_gpu	2023-06-28 15:19:35 +02:00
Paolo Giannozzi	365384cf54	Erroneous error	2022-01-23 13:12:12 +01:00
Paolo Giannozzi	29b8eb1bc2	errore => upf_error	2021-04-09 07:57:24 +02:00
Andrea Ferretti	a20ee97aff	cleanup of commented "using_*" calls	2021-02-22 14:25:53 +01:00
Andrea Ferretti	9eb0babe91	allocations and handling of variables in uspp_data (with special focus on GPU logic) simplified	2021-02-18 17:20:37 +01:00
Andrea Ferretti	53b3a5c6ff	us_gpum renamed to uspp_data_gpum (internal consistency)	2021-02-15 19:00:11 +01:00
Paolo Giannozzi	471da0ab46	Merge https://gitlab.com/QEF/q-e into devel-upflib	2021-01-23 19:28:44 +00:00
Andrea Ferretti	504ce31a46	init_us_1 moved to upflib	2021-01-16 01:07:21 +01:00