14 Commits

Author	SHA1	Message	Date
Paolo Giannozzi	b3c6cb4447	[skip-CI] Removal of "device" variable ofsbeta_d	2024-01-08 22:15:42 +01:00
Paolo Giannozzi	82089e6750	[skip-CI] Reorganization of interpolation table for rho_core seems to work	2023-10-08 10:57:14 +02:00
Paolo Giannozzi	bc909b71bf	[skip-CI] Missing !$acc exit data when deallocating	2023-10-06 19:33:47 +02:00
Paolo Giannozzi	9f808dbe7e	[skip-CI] Safer dimensions, better reporting of what is happening	2023-10-04 13:45:18 +02:00
Paolo Giannozzi	beacf18172	Some more tweaking with Vloc ... Make V(G=0) case more explicit, generalize to V(q+G)	2023-09-30 22:42:20 +02:00
Paolo Giannozzi	02c81691d9	Oops ... GTH broken by last commit	2023-09-22 22:27:30 +02:00
Paolo Giannozzi	2ab4daac80	Final cleanup	2023-09-22 22:19:30 +02:00
Paolo Giannozzi	a6ec0cecbf	[skip-CI] Interpolation for dVloc(G)/dG as well	2023-09-21 22:38:55 +02:00
Paolo Giannozzi	966e046afa	[skip-CI] Local potential is interpolated	2023-09-20 10:08:12 +02:00
Paolo Giannozzi	ab9df17b44	[skip-CI] More local potential cleanup	2023-09-16 11:05:41 +02:00
Paolo Giannozzi	ddb687b996	Added error check, reverted bad fix	2023-09-15 08:55:05 +02:00
Paolo Giannozzi	2f9ecea6c2	Cleanup of vloc_of_g	2023-09-14 15:29:01 +02:00
Paolo Giannozzi	af4a6d8ac8	dvlog_of_g also moved to upflib (as is, no restructuring yet)	2023-09-10 17:33:32 +02:00
Paolo Giannozzi	3059eef8ba	Local potential calculation cleaned up and moved to upflib	2023-09-10 10:36:47 +02:00