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dft-inputs
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Original + verified correct BFD C UPF format pseudopotential
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2016-09-14 16:49:39 +00:00 |
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qmc-ref
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Update references for statistical integration test and deterministic test for 1x1x1 and 2x1x1 diamond
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2022-08-31 22:00:22 -05:00 |
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C.BFD.xml
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Partial testing update. Adds bccH, diamondC 2 & 4, hcp Be, monoclinic O VMC total energy checks with jastrows.
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2015-09-08 22:23:58 +00:00 |
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CMakeLists.txt
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Increase flux tol
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2025-04-26 11:10:39 -04:00 |
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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_delayedupdate.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_excited.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_sdbatch_vmcbatch_dmcbatch_mwalkers.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_sdbatch_vmcbatch_dmcbatch_mwalkers_with_checks.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_sdbatch_vmcbatch_mwalkers.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_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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det_qmc_short_vmc_dmc_excited.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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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_vmcbatch_dmcbatch_excited.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_vmcbatch_dmcbatch_mwalkers.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_vmcbatch_dmcbatch_mwalkers_inverter_host.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_vmcbatch_dmcbatch_mwalkers_serialized.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_short_vmcbatch_mwalkers.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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det_qmc_vmc_dmc_pw.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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pwscf.pwscf.h5
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Partial testing update. Adds bccH, diamondC 2 & 4, hcp Be, monoclinic O VMC total energy checks with jastrows.
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2015-09-08 22:23:58 +00:00 |
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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_excited.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_vmc_dmc_dla.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_excited.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_reconf.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.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_delayedupdate.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_excited.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_hybridrep.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_sdbatch_vmcbatch_4b.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_sdbatch_vmcbatch_dmcbatch.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -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_vmc_dmc_4r.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_dla.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_excited.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_reconf.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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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_vmcbatch_4b.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_vmcbatch_4b_asynctwf.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_vmcbatch_dmcbatch.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
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qmc_short_vmcbatch_dmcbatch_4r.in.xml
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Remove parameters in determinant and clean up
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2023-09-15 09:18:26 -05:00 |
