6 Commits

Author	SHA1	Message	Date
Paolo Giannozzi	21103088a9	Yet another "device" variable (fcoef) replaced by an OpenACC one	2023-12-01 11:29:48 +01:00
Paolo Giannozzi	57dcc15e2c	[skip-CI] spin-orbit cleanup ... - Routines transform_qq_so moved into upf_spinorb module - generalized version of transform_qq_so called in init_upf_1 as well	2023-10-18 13:52:31 +02:00
Paolo Giannozzi	92e2238e35	More spin-orbit cleanup ... I didn't like the way spin-orbit-related variables were distributed between upflib and the main code. Now upflib has an internal flag for spin-orbit calculations, set when variables are allocated to the same value as in the main code (and not the oher way round). Given the small number of variables left in spin-orbit modules in upflib and in the main code, I think that both should be merger into the "uspp" and "noncolin" modules, respectively.	2021-10-24 10:22:44 +02:00
Andrea Ferretti	7147add67a	removal of uspp-gpum module.	2021-02-22 08:26:48 +01:00
Andrea Ferretti	4c3ea7646f	GPU variables moved ordinary modules	2021-02-15 18:34:07 +01:00
Andrea Ferretti	504ce31a46	init_us_1 moved to upflib	2021-01-16 01:07:21 +01:00