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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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becke_qs_gapw.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-gapw.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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subsys-gapw.inc
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CDFT: Shorten regtests
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2017-06-07 11:22:28 +00:00 |
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subsys.inc
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CDFT: Shorten regtests
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2017-06-07 11:22:28 +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 |
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water-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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water-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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water-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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water-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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water-cdft-5.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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water-cdft-6.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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water-cdft-7.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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water-cdft-8.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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water-cdft-9.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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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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water.xyz
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Constrained DFT implementation - see section QS%CDFT (Nico Holmberg)
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2017-01-30 22:34:26 +00:00 |