mirror of https://github.com/QMCPACK/qmcpack.git
Add example prefix to He examples.
Add the prefix "example_" to the He example test names to make it easier to include or exclude tests that come from the examples.
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@ -4,7 +4,7 @@ IF(NOT QMC_CUDA AND NOT QMC_COMPLEX)
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LIST(APPEND HE_SIMPLE_VMC_SCALARS "totenergy" "-2.83 .006") # total energy
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LIST(APPEND HE_SIMPLE_VMC_SCALARS "totenergy" "-2.83 .006") # total energy
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QMC_RUN_AND_CHECK(He_simple
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QMC_RUN_AND_CHECK(example_He_simple
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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He
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He
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he_simple.xml
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he_simple.xml
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@ -15,7 +15,7 @@ IF(NOT QMC_CUDA AND NOT QMC_COMPLEX)
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LIST(APPEND HE_SIMPLE_DMC_SCALARS "totenergy" "-2.902 .002") # total energy
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LIST(APPEND HE_SIMPLE_DMC_SCALARS "totenergy" "-2.902 .002") # total energy
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QMC_RUN_AND_CHECK(He_simple_dmc
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QMC_RUN_AND_CHECK(example_He_simple_dmc
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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He
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He
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he_simple_dmc.xml
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he_simple_dmc.xml
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@ -26,7 +26,7 @@ IF(NOT QMC_CUDA AND NOT QMC_COMPLEX)
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LIST(APPEND HE_SIMPLE_OPT_SCALARS "totenergy" "-2.88 .004") # total energy
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LIST(APPEND HE_SIMPLE_OPT_SCALARS "totenergy" "-2.88 .004") # total energy
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QMC_RUN_AND_CHECK(He_simple_opt
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QMC_RUN_AND_CHECK(example_He_simple_opt
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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He
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He
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he_simple_opt.xml
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he_simple_opt.xml
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@ -37,7 +37,7 @@ IF(NOT QMC_CUDA AND NOT QMC_COMPLEX)
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LIST(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .003") # total energy
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LIST(APPEND HE_FROM_GAMESS_SCALARS "totenergy" "-2.872 .003") # total energy
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QMC_RUN_AND_CHECK(He_from_gamess
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QMC_RUN_AND_CHECK(example_He_from_gamess
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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"${CMAKE_SOURCE_DIR}/examples/molecules/He"
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He
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He
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he_from_gamess.xml
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he_from_gamess.xml
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@ -51,7 +51,7 @@ IF(NOT QMC_CUDA AND NOT QMC_COMPLEX)
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# but the final VMC is far off.
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# but the final VMC is far off.
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# LIST(APPEND HE_BSPLINE_OPT_SCALARS "totenergy" "-2.879 .003") # total energy
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# LIST(APPEND HE_BSPLINE_OPT_SCALARS "totenergy" "-2.879 .003") # total energy
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#
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#
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# QMC_RUN_AND_CHECK(He_bspline_opt
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# QMC_RUN_AND_CHECK(example_He_bspline_opt
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# "${CMAKE_SOURCE_DIR}/examples/molecules/He"
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# "${CMAKE_SOURCE_DIR}/examples/molecules/He"
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# He
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# He
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# he_bspline_jastrow.xml
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# he_bspline_jastrow.xml
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