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dft-inputs
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Require Python3
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2020-01-08 12:52:22 -05:00 |
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qmc-ref
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All tests + minor fixes
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2018-03-28 23:08:51 -05:00 |
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C.BFD.xml
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Tests LDA Gaussian complete
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2018-03-23 13:13:56 -05:00 |
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CMakeLists.txt
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Adding reference for complex build
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2024-05-08 17:46:49 -05:00 |
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C_Diamond-Twist0.wfj.xml
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Selective I/O operation in tests.
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2020-12-15 18:40:10 -06:00 |
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C_Diamond.h5
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Tests LDA Gaussian complete
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2018-03-23 13:13:56 -05:00 |
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C_Diamond.structure.xml
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Tests LDA Gaussian complete
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2018-03-23 13:13:56 -05:00 |
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det_qmc_short.in.xml
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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det_qmc_short_vmcbatch.in.xml
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Add batched driver test for periodic LCAO.
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2023-10-22 23:15:38 -05:00 |
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det_qmc_short_vmcbatch_dmcbatch.in.xml
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Reduce warmup step for diamondC_2x1x1-Gaussian_pp/det_qmc_short_vmcbatch_dmcbatch.in.xml
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2024-05-08 10:48:50 -05:00 |
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qmc_long.in.xml
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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qmc_long_vmc_dmc.in.xml
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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qmc_long_vmcbatch.in.xml
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Add batched driver test for periodic LCAO.
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2023-10-22 23:15:38 -05:00 |
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qmc_long_vmcbatch_dmcbatch.in.xml
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Add batched driver test for periodic LCAO.
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2023-10-22 23:15:38 -05:00 |
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qmc_short.in.xml
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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qmc_short_vmc_dmc.in.xml
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Set driver_version in inputs
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2025-01-08 13:53:45 -05:00 |
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qmc_short_vmcbatch.in.xml
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Add batched driver test for periodic LCAO.
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2023-10-22 23:15:38 -05:00 |
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qmc_short_vmcbatch_dmcbatch.in.xml
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Add batched driver test for periodic LCAO.
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2023-10-22 23:15:38 -05:00 |
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