mirror of https://github.com/QMCPACK/qmcpack.git
36 lines
720 B
CMake
36 lines
720 B
CMake
list(APPEND HCP_BE_SCALARS "totenergy" "-1.481656 0.0005")
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list(APPEND HCP_BE_SCALARS "samples" "416000 0.0")
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# LIST(APPEND HCP_BE_SCALARS "flux" "0.0 0.003")
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qmc_run_and_check(
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short-hcpBe_1x1x1_pp-vmc_sdj
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"${qmcpack_SOURCE_DIR}/tests/solids/hcpBe_1x1x1_pp"
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qmc_short
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qmc_short.in.xml
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1
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16
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TRUE
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0
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HCP_BE_SCALARS # VMC
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)
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#
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# Long test
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#
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list(APPEND LONG_HCP_BE_SCALARS "totenergy" "-1.481656 0.000017")
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list(APPEND LONG_HCP_BE_SCALARS "samples" "399360000 0.0")
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list(APPEND LONG_HCP_BE_SCALARS "flux" "0.0 0.0001")
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qmc_run_and_check(
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long-hcpBe_1x1x1_pp-vmc_sdj
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"${qmcpack_SOURCE_DIR}/tests/solids/hcpBe_1x1x1_pp"
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qmc_long
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qmc_long.in.xml
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1
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16
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TRUE
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0
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LONG_HCP_BE_SCALARS # VMC
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)
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