qmcpack/tests/converter
Paul Kent 6d052c0d26 Require Python3 2020-01-08 12:52:22 -05:00
..
test_Be_ccd Fix converter tests. 2018-09-11 17:41:49 -05:00
test_Be_sto3g Add convert4qmc tests for GAMESS output. 2016-02-18 18:43:14 +00:00
test_C_sto3g Add convert4qmc tests for GAMESS output. 2016-02-18 18:43:14 +00:00
test_HCNp Fix converter tests. 2018-09-11 17:41:49 -05:00
test_HDF5_Be_ccd Fix reference HDF5 due to the false assumption (legacy) that NAO=NMO) 2019-01-21 16:48:18 -06:00
test_HDF5_FeCO6 Fix reference HDF5 due to the false assumption (legacy) that NAO=NMO) 2019-01-21 16:48:18 -06:00
test_HDF5_LiH_qp Fix reference HDF5 due to the false assumption (legacy) that NAO=NMO) 2019-01-21 16:48:18 -06:00
test_He_sto3g Fix converter tests. 2018-09-11 17:41:49 -05:00
test_LiH_pyscf Require Python3 2020-01-08 12:52:22 -05:00
test_LiH_qp Fix converter tests. 2018-09-11 17:41:49 -05:00
test_NaCl_qbox add test for convertpw4qmcpack with qbox sample file 2019-07-19 14:10:31 -06:00
test_O_ext Fix converter tests. 2018-09-11 17:41:49 -05:00
test_aldet1 Default is to read all determinants through cutoff set to 1e-20 2019-01-21 14:38:49 -06:00
test_aldet5 Default is to read all determinants through cutoff set to 1e-20 2019-01-21 14:38:49 -06:00
test_aldet6 Add files via upload 2019-01-31 09:44:36 -05:00
CMakeLists.txt added MPIEXEC_PREFLAGS for passing flags to MPIEXEC directly before the executable to run 2019-11-25 13:55:20 -07:00
converter_test.py Decode stderr from Popen 2019-12-09 23:15:25 -06:00
pwconverter_test.py change qbox converter test to use absolute difference instead of relative 2019-07-25 14:17:04 -06:00