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EAM_LIB
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precommit: Wrap Markdown lines after 100 characters
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2023-11-14 12:47:36 +01:00 |
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regtest-1-1
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Format all input files
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regtest-1-2
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Format all input files
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regtest-1-3
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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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regtest-1-4
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Adjust tolerances
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2024-07-18 09:05:26 +02:00 |
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regtest-2
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-3
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Adjust tolerances
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2024-07-18 09:05:26 +02:00 |
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regtest-4
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2023-12-18 22:41:19 +01:00 |
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regtest-5
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regtest-5-vib
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regtest-6
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2023-12-18 22:41:19 +01:00 |
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regtest-7-1
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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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regtest-7-2
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Revise file extensions, use template as test input
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2024-01-16 22:55:16 +01:00 |
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regtest-8
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regtest-9
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regtest-10
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Format all input files
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regtest-11
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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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regtest-12
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Reduce test output sizes
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2024-05-25 05:40:22 +02:00 |
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regtest-13
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-14
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regtest-15
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-16
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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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regtest-allegro
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pretty
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2024-06-05 09:50:48 +02:00 |
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regtest-deepmd
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Add support for DeePMD
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2024-01-04 16:31:37 +01:00 |
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regtest-excl-G
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2023-12-18 22:41:19 +01:00 |
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regtest-excl-R
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regtest-field
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-gauss
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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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regtest-nequip
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reduced models & removed water-bulk-dp.inp energy and water-gra-film-sp.inp regtests
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2024-06-05 09:50:48 +02:00 |
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regtest-opt
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Format all input files
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regtest-plumed2
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-pol
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Improve element comparison in reftraj
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2024-03-28 14:49:12 +01:00 |
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regtest-quip
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Format all input files
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2023-12-18 22:41:19 +01:00 |
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regtest-spgr
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Format all input files
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regtest-water
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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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sample_cp2k
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* Optionally read CP2K COORD section from an external file
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2011-01-17 16:50:30 +00:00 |
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sample_crd
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Fist: Fix segfault for systems without dihedrals
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2024-02-24 00:03:43 +01:00 |
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sample_pdb
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new regtests for reaction path colvar
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2010-01-25 17:24:51 +00:00 |
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sample_pot
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Remove/Rename/Tweak spurious input files
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2023-12-18 22:41:19 +01:00 |
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sample_psf
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Forcefield: Add table potential type TABPOT
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2022-10-07 18:11:36 +02:00 |
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sample_top
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Fist: Fix segfault for systems without dihedrals
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2024-02-24 00:03:43 +01:00 |
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sample_xyz
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Forcefield: Add table potential type TABPOT
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2022-10-07 18:11:36 +02:00 |
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aala.inp
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Format all input files
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al2o3.inp
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al2o3_rhombo.inp
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Format all input files
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argon.inp
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argon_npt.inp
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butane.inp
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C11H24.inp
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deca_ala.inp
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ethene.inp
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glyala_wat.inp
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H2O-32_ewald.inp
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H2O-32_NPT.inp
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H2O-32_PME.inp
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H2O-32_SPME.inp
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pot_input.inp
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water.inp
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water3.inp
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water512.inp
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water8192.inp
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water_1.inp
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water_2.inp
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Format all input files
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water_IPBV.inp
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Format all input files
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2023-12-18 22:41:19 +01:00 |
