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quantum-espresso
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22,460 Commits 5 Branches 40 Tags 1.8 GiB
Commit Graph

27 Commits

Author SHA1 Message Date
fabrizio22 7464448b7f XClib - inside_error cleanup and race-related fixes 2022-05-24 18:31:16 +02:00
fabrizio22 fc4bd7cda0 XClib - recover error messages in GPU regions 2022-05-18 10:12:01 +02:00
fabrizio22 48750a4790 XClib - inside error codes added 2022-05-18 10:12:01 +02:00
fabrizio22 69e1d21405 XClib-acc - present directive only in mGGA 2022-04-22 13:28:33 +02:00
fabrizio22 43c698c5e4 Vxc_acc - mGGA cleanup 2021-11-30 11:13:04 +01:00
fabrizio22 5baf2cefda Vxc_acc - Libxc-side cleanup and optimization 2021-11-17 12:54:26 +01:00
fabrizio22 6941ae29e8 Vxc_acc - other Libxc-side fixes and optimization 2021-11-16 18:09:29 +01:00
fabrizio22 5ea56e06fb Vxc_acc - some Libxc-mgga side fixes and small improvements 2021-11-16 13:12:01 +01:00
fabrizio22 b4a7e72d0f Vxc_acc - openACC compilation warnings fixed 2021-11-15 13:22:35 +01:00
fabrizio22 8dea2c3bf2 Vxc_acc - duplication of xc_wrappers removed 2021-11-15 12:11:45 +01:00
fabrizio22 17d5d34017 Vxc_acc - mgga xc on openacc 2021-11-14 15:41:41 +01:00
fabrizio22 ff28e52e9f Vxc_acc - xc metagga interface 2021-11-12 23:06:43 +01:00
fabrizio22 add0dc262c XClib - SCAN0 exx removed (now in libxc) 2021-10-19 18:05:04 +02:00
fabrizio22 e5d3914db6 XClib - small changes in test and libxc threshold refinements 2021-10-13 22:24:39 +02:00
fabrizio22 c6b6ea0f90 XClib - libxc ext params some reorganization 2021-10-13 22:24:39 +02:00
fabrizio22 0f55b03a05 XClib - Libxc flags check improved 2021-10-13 22:24:39 +02:00
fabrizio22 3dc87c62eb XClib - q-e/libxc threshold alignment (attempt) 2021-10-13 22:24:39 +02:00
fabrizio22 b8a537d66d XClib - Libxc dfts with no Exc included 2021-10-13 22:24:39 +02:00
fabrizio22 571b43ff49 fixes in xc_info and qe_dft_list 2021-10-13 22:24:39 +02:00
fabrizio22 73fabcd484 XClib - old xc-labels deleted, 2 modules renamed 2021-10-13 22:24:39 +02:00
fabrizio22 79a4dd80bf XClib - libxc initialization 2021-01-14 16:01:58 +01:00
fabrizio22 58af6e147e XClib - other cleanup and small changes 2021-01-06 17:21:32 +01:00
fabrizio22 ad83f241d2 XClib - some cleanup and small fixes 2021-01-06 16:06:22 +01:00
fabrizio22 fab84cd0a6 XClib - some fixes on libxc blocks 2021-01-06 15:42:52 +01:00
fabrizio22 509ce8ad64 XClib - all in module xc_lib 2021-01-06 15:42:52 +01:00
fabrizio22 04f8378f2f XClib - funct into XClib-fixes 2021-01-06 15:36:00 +01:00
fabrizio22 f81ccfe2a5 XClib - some reorganization 2021-01-06 15:36:00 +01:00