mirror of https://github.com/QMCPACK/qmcpack.git
66 lines
1.4 KiB
CMake
66 lines
1.4 KiB
CMake
list(APPEND MONO_O_SCALARS "totenergy" "-31.776596 0.006")
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list(APPEND MONO_O_SCALARS "samples" "64000 0.0")
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# LIST(APPEND MONO_O_SCALARS "flux" "0.0 0.5")
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qmc_run_and_check(
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short-monoO_1x1x1_pp-vmc_sdj
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"${qmcpack_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"
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qmc_short
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qmc_short.in.xml
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1
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16
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TRUE
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0
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MONO_O_SCALARS # VMC
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)
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list(APPEND MONO_O_J3_SCALARS "totenergy" "-31.913838 0.0025")
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list(APPEND MONO_O_J3_SCALARS "samples" "204800 0.0")
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qmc_run_and_check(
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short-monoO_1x1x1_pp-vmc_sdj3
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"${qmcpack_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"
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qmc_j3_short
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qmc_j3_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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MONO_O_J3_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_MONO_O_SCALARS "totenergy" "-31.776596 0.0002")
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list(APPEND LONG_MONO_O_SCALARS "samples" "61440000 0.0")
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list(APPEND LONG_MONO_O_SCALARS "flux" "0.0 0.05")
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qmc_run_and_check(
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long-monoO_1x1x1_pp-vmc_sdj
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"${qmcpack_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"
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qmc_long
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qmc_long.in.xml
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1
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16
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TRUE
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0
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LONG_MONO_O_SCALARS # VMC
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)
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list(APPEND LONG_MONO_O_J3_SCALARS "totenergy" "-31.913838 0.0008")
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list(APPEND LONG_MONO_O_J3_SCALARS "samples" "2048000 0.0")
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list(APPEND LONG_MONO_O_J3_SCALARS "flux" "0.0 0.27")
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qmc_run_and_check(
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long-monoO_1x1x1_pp-vmc_sdj3
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"${qmcpack_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"
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qmc_j3_long
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qmc_j3_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_MONO_O_J3_SCALARS # VMC
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)
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