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becke_qs.inc
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Remove MAP_CONSISTENT from all regtests
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2020-02-14 16:16:30 +01:00 |
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dft-common-params.inc
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Remove MAP_CONSISTENT from all regtests
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2020-02-14 16:16:30 +01:00 |
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HeH-water-cdft-state-1.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-cdft-state-2.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-mixed-cdft-1.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-mixed-cdft-2.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-mixed-cdft-3.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-mixed-cdft-4.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water-noconstraint-dump-1.psf
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serial mode treatment of mixed CDFT states, more optimizer types, and
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2017-02-13 12:04:50 +00:00 |
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HeH-water-noconstraint.inp
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Indent @-directives and set them upercase
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2024-01-16 16:23:54 +01:00 |
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HeH-water.xyz
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Remove tabs and trailing spaces
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2021-03-11 20:06:46 +01:00 |
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mm-common-params.inc
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serial mode treatment of mixed CDFT states, more optimizer types, and
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2017-02-13 12:04:50 +00:00 |
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qmmm-common-params.inc
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serial mode treatment of mixed CDFT states, more optimizer types, and
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2017-02-13 12:04:50 +00:00 |
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subsys.inc
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serial mode treatment of mixed CDFT states, more optimizer types, and
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2017-02-13 12:04:50 +00:00 |
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TEST_FILES.toml
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Tests: Rename some matchers
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2025-03-08 12:10:39 +01:00 |