mirror of https://github.com/QMCPACK/qmcpack.git
109 lines
2.0 KiB
CMake
109 lines
2.0 KiB
CMake
# add short tests
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list(APPEND SHORT_SCALARS "Eloc" "-10.55274 0.00261")
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list(APPEND SHORT_HYBRID_SCALARS "ElocEstim" "-10.55149 0.00643")
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qmc_run_and_check(
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short-diamondC-afqmc
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short
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qmc_short.in.xml
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16
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1
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TRUE
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0
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SHORT_SCALARS # AFQMC
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)
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# distribute cholesky matrix
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qmc_run_and_check(
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short-diamondC-afqmc_nn2
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short_nnodes2
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qmc_short_nnodes2.in.xml
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16
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1
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TRUE
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0
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SHORT_SCALARS # AFQMC
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)
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# hybrid weighting
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qmc_run_and_check(
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short-diamondC-afqmc_hyb
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short_hybrid
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qmc_short_hybrid.in.xml
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16
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1
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TRUE
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0
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SHORT_HYBRID_SCALARS # AFQMC
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)
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# hybrid weighting with cholesky distribution
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qmc_run_and_check(
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short-diamondC-afqmc_hyb_nn2
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short_hybrid_nnodes2
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qmc_short_hybrid_nnodes2.in.xml
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16
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1
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TRUE
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0
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SHORT_HYBRID_SCALARS # AFQMC
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)
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# include mean field
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qmc_run_and_check(
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short-diamondC-afqmc_incmf
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short_includeMF
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qmc_short_includeMF.in.xml
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16
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1
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TRUE
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0
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SHORT_SCALARS # AFQMC
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)
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# include mean field with cholesky distribution
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qmc_run_and_check(
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short-diamondC-afqmc_incmf_nn2
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_short_includeMF_nnodes2
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qmc_short_includeMF_nnodes2.in.xml
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16
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1
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TRUE
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0
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SHORT_SCALARS # AFQMC
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)
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# add long tests
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list(APPEND LONG_SCALARS "Eloc" "-10.55274 0.00086")
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list(APPEND LONG_HYBRID_SCALARS "ElocEstim" "-10.55149 0.00212")
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qmc_run_and_check(
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long-diamondC-afqmc
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_long
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qmc_long.in.xml
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16
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1
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TRUE
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0
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LONG_SCALARS # AFQMC
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)
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qmc_run_and_check(
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long-diamondC-afqmc_hyb
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"${qmcpack_SOURCE_DIR}/tests/solids/diamondC_afqmc"
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qmc_long_hybrid
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qmc_long_hybrid.in.xml
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16
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1
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TRUE
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0
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LONG_HYBRID_SCALARS # AFQMC
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)
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