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qmcpack/tests/afqmc
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Paul Kent 6d052c0d26 Require Python3 2020-01-08 12:52:22 -05:00
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Be_sto-3g Unit test for PHMSD molecular calculation. 2019-07-23 11:29:22 -07:00
C_1x1x1_dzvp Require Python3 2020-01-08 12:52:22 -05:00
C_1x1x1_szv Require Python3 2020-01-08 12:52:22 -05:00
C_uhf Require Python3 2020-01-08 12:52:22 -05:00
He_2x2x2_dzv Require Python3 2020-01-08 12:52:22 -05:00
Ne_cc-pvdz Require Python3 2020-01-08 12:52:22 -05:00
workflow added MPIEXEC_PREFLAGS for passing flags to MPIEXEC directly before the executable to run 2019-11-25 13:55:20 -07:00