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quantum-espresso
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21,219 Commits 5 Branches 40 Tags 1.8 GiB
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28 Commits

Author SHA1 Message Date
fabrizio22 69bf4b6ccc XClib - few minor fixes 2021-11-24 14:31:49 +01:00
fabrizio22 bc934c50e4 XClib - mgga warnings 2021-11-24 12:01:10 +01:00
fabrizio22 3ebd4e0a99 XClib - possibility to use mgga and non-mgga 2021-11-24 12:01:10 +01:00
fabrizio22 c7a33fc0c4 XClib - dft name small fixes 2021-11-24 12:01:10 +01:00
fabrizio22 50ff8c125c XClib - contracted ID notation 2021-11-24 12:01:10 +01:00
fabrizio22 e3532ae9db XClib - doc update and compilation fix 2021-11-24 12:01:10 +01:00
fabrizio22 166f3b906a XClib - Libxc index notation works 2021-11-24 12:01:10 +01:00
fabrizio22 3d09292570 XClib - only index notation for Libxc 2021-11-24 12:01:10 +01:00
fabrizio22 5baf2cefda Vxc_acc - Libxc-side cleanup and optimization 2021-11-17 12:54:26 +01:00
Sasha Fonari 9759882929 Add R2SCAN functional from libxc 2021-11-05 09:16:24 -04:00
fabrizio22 66900e98f5 XClib - minor fixes 2021-10-19 17:21:59 +02:00
fabrizio22 95111755d3 XClib - +META dfts removed and SCAN0 to libxc 2021-10-13 22:24:39 +02:00
fabrizio22 e5d3914db6 XClib - small changes in test and libxc threshold refinements 2021-10-13 22:24:39 +02:00
fabrizio22 8a9d3751ff XClib - input test optimizations 2021-10-13 22:24:39 +02:00
fabrizio22 f17b2878c5 XClib - some additions to xc_infos 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 063ee1fea8 XClib - test updates and m06l threshold fixes 2021-10-13 22:24:39 +02:00
fabrizio22 b9f4a54679 XClib - various fixes (plus mgga name warning) 2021-10-13 22:24:39 +02:00
fabrizio22 001fe34adf XClib - management of unusable Libxc dfts 2021-10-13 22:24:39 +02:00
fabrizio22 b4e227ef11 XClib - pbe index fix and xctest minor fixes 2021-10-13 22:24:39 +02:00
fabrizio22 a958e94d45 compilation fix in XClib 2021-10-13 22:24:39 +02:00
fabrizio22 cb0d1041fa xclib_test - various fixes 2021-10-13 22:24:39 +02:00
fabrizio22 dcd4aff7e2 xclib_test - libxc all in 2021-10-13 22:24:39 +02:00
fabrizio22 beb124a249 dft refs in a separate module 2021-10-13 22:24:39 +02:00
fabrizio22 0fbcd3a55e dft index related fixes 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