Mark Dewing 3c4cdfad60 Add test for parameter derivative with NLPP ... Using the hcpBe test case, add a test of parameter derivative functions. Update the python scripts to enable validation.		2023-01-09 16:29:50 -06:00
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Be.BFD.xml	Add test for parameter derivative with NLPP	2023-01-09 16:29:50 -06:00
C.BFD.xml	Add pseudopotentials_for_tests and fix broken symlinks	2018-05-04 10:59:47 -04:00
C.ccECP.xml	Setup the Hamiltonian	2021-04-23 16:47:52 -06:00
Fe.BFD.xml	Add pseudopotentials_for_tests and fix broken symlinks	2018-05-04 10:59:47 -04:00
Mo.ccECP.SOREP.xml	Add deterministic test for SOVMC/SODMC	2022-05-27 14:23:41 -05:00
N.ccECP.xml	Setup the Hamiltonian	2021-04-23 16:47:52 -06:00
Na.BFD.xml	Add Na.BFD.xml to unit tests	2019-02-15 16:16:30 -07:00
Ni.opt.xml	move Ni and O pseudopotentials to common test directory	2018-10-04 10:07:00 -04:00
O.BFD.xml	Add pseudopotentials_for_tests and fix broken symlinks	2018-05-04 10:59:47 -04:00
O.ncpp.xml	Fix Ni and O pseudo softlink.	2018-12-14 00:24:04 -06:00
so_ecp_test.xml	working unit test for SOECP evaluation	2020-02-14 09:16:40 -07:00