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7e558e4628
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add tester tool for lattice and region commands
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2020-08-12 22:16:49 -04:00 |
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5ee4346700
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fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles
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2020-08-10 17:16:07 -04:00 |
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33c97618be
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using hybrid/overaly to add soft repulsion to purely coulombic pair-styles
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2020-08-10 16:52:32 -04:00 |
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a83147ce20
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fixed bug in respa neighbor list
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2020-08-10 16:01:28 -04:00 |
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6cea5a9aef
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added missing restart_settings() in morse/soft
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2020-08-08 17:11:25 -04:00 |
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9bbd6099af
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unit tests for /soft pair styles
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2020-08-08 16:30:27 -04:00 |
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54b933164f
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tweak epsilon
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2020-08-07 18:34:39 -04:00 |
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7aae5ba5d1
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set molecule ids for testing interlayer potentials
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2020-08-07 18:34:25 -04:00 |
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9f469623c0
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add test for lj/smooth/linear and gaus/cut
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2020-08-07 18:13:58 -04:00 |
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e169a5c785
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add tests for pair style coul/streitz
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2020-08-07 18:06:57 -04:00 |
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c5cd108113
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add tests for coul/shield, coul/slater/cut and coul/slater/long
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2020-08-07 16:59:21 -04:00 |
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7d26fbc6e2
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add test for pair style coul/diel
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2020-08-07 16:51:23 -04:00 |
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0537cc721e
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add test for pair style edip/multi
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2020-08-07 16:32:53 -04:00 |
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ec0c3d60a8
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add test for pair style edip
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2020-08-07 16:30:12 -04:00 |
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8e0dccee2c
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add test for pair style meam/sw/spline
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2020-08-07 16:08:28 -04:00 |
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51decfcf85
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add test for pair style meam/spline
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2020-08-07 14:53:11 -04:00 |
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1c33bff557
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add test for pair style yukawa/colloid
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2020-08-07 12:04:23 -04:00 |
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efa8b3486f
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update colloid test template so it can handle different atom styles
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2020-08-07 12:04:06 -04:00 |
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15e969ca5b
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add triclinic support to ewald/omp
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2020-08-07 11:11:52 -04:00 |
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094f52c378
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make space style msm an explicit dependency
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2020-08-07 00:07:36 -04:00 |
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7d9f6b0dc5
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add tests for pair styles from USER-SDK
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2020-08-07 00:07:18 -04:00 |
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a42365bf90
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add support enforce writing a data file with pair ij as required by sdk styles
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2020-08-07 00:05:34 -04:00 |
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c6d5715ea1
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add tests for meam/c
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2020-08-06 23:12:16 -04:00 |
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522a76694f
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test pppm with triclinic cell
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2020-08-06 21:52:37 -04:00 |
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b91419397d
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update (some) kspace tests to run faster
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2020-08-06 21:49:03 -04:00 |
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cd31006006
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add test for pair style python
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2020-08-06 17:53:11 -04:00 |
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ec0b3ae8d2
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add test for pair style tip4p/cut
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2020-08-06 16:54:39 -04:00 |
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e1219399b4
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add tests for buck/long/coul/long
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2020-08-06 16:26:37 -04:00 |
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ad71475e91
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more tests
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2020-08-06 16:09:47 -04:00 |
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0d677321d8
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more tests for coreshell
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2020-08-06 15:50:31 -04:00 |
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ad9483343c
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reformat pair_coeff section
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2020-08-06 15:49:31 -04:00 |
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e93e49a777
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restore printing alphabetically sorted lists of missing styles
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2020-08-06 15:30:52 -04:00 |
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e777454888
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add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in pppm/tip4p/omp
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2020-08-06 14:42:15 -04:00 |
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15db052c80
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Merge branch 'master' into collected-small-changes
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2020-08-05 22:10:10 -04:00 |
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c3075250ee
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Merge pull request #2273 from abhiShandy/pair-tests-aug4
Bunch of units tests for pair-style, angle-style, bond-style
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2020-08-05 22:09:28 -04:00 |
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458243604b
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change atom style tests expand covered code paths: tiled vs. brick comm, orthogonal vs. triclinic. relax floating point check precision
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2020-08-05 19:27:59 -04:00 |
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ac08bcadf7
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use bbox keyword on some replicate commands to increase code coverage
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2020-08-05 18:49:05 -04:00 |
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f895904d2c
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Merge branch 'pair-tests-aug4' of github.com:abhiShandy/lammps into pair-tests-aug4
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2020-08-04 02:18:06 -04:00 |
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5592bac69c
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Merge branch 'bond-styles-Aug4' into pair-tests-aug4
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2020-08-04 02:17:06 -04:00 |
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59c5a62a00
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Merge branch 'angle-tests-Aug4' into pair-tests-aug4
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2020-08-04 02:16:57 -04:00 |
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feadfaf9be
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unit tests for angle-class2/p6, angle-cross and angle-mm3
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2020-08-04 02:15:11 -04:00 |
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eed7113506
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tests for fene, fene/expand
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2020-08-04 01:57:23 -04:00 |
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f407db6198
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add test for lj/cut/tip4p/cut
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2020-08-04 00:11:14 -04:00 |
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b217375744
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add tests with AD instead of IK
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2020-08-03 23:45:46 -04:00 |
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83519290e7
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add kspace tests with slab correction and pppm/stagger
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2020-08-03 23:31:32 -04:00 |
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4e46c0aef4
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add missing born/coul/long variant using tabulation
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2020-08-03 23:02:29 -04:00 |
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89d85436f1
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update reference data for triclinic case
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2020-08-03 22:42:18 -04:00 |
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f4aede49dc
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Merge branch 'master' into multi-comm-tiled
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2020-08-03 22:37:23 -04:00 |
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ea900b3482
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add test input template for tiled with triclinic and multi-cutoff
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2020-08-03 22:17:04 -04:00 |
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de828fceaf
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test for cosine/squared
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2020-08-03 20:48:11 -04:00 |
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