Mark Dewing 02e96fc711 Fix Be orb opt test ... Check correct series number. Skip test for mixed precision builds.		2023-06-05 16:45:14 -05:00
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Be.structure.xml	Add test for Be with STO basis	2023-05-22 12:06:18 -05:00
Be_STO.wfnoj.xml	Add test for Be with STO basis	2023-05-22 12:06:18 -05:00
CMakeLists.txt	Fix Be orb opt test	2023-06-05 16:45:14 -05:00
be_opt.in.xml	Use 4 optimizer iterations	2023-06-02 09:37:23 -05:00
be_sto_nodrift_vmc.in.xml	Add test for Be with STO basis	2023-05-22 12:06:18 -05:00
be_sto_vmc.in.xml	Add test for Be with STO basis	2023-05-22 12:06:18 -05:00
be_sto_vmc_legacy.in.xml	Add test for Be with STO basis	2023-05-22 12:06:18 -05:00
partial_opt_Be_STO.wfnoj.xml	Add orbital rotation optimization test	2023-06-01 14:43:51 -05:00