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5050538d59
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add tests for addforce and aveforce fixes
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2020-08-11 21:00:16 -04:00 |
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51a7038dbf
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Merge branch 'master' into fix-tester
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2020-08-11 16:14:27 -04:00 |
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11af732aab
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tweak precision for edip test
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2020-08-11 15:43:03 -04:00 |
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65d9eef707
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add test for pair style extep
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2020-08-11 09:57:32 -04:00 |
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6b84cd1c48
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add test for pair style morse/smooth/linear
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2020-08-11 09:57:23 -04:00 |
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5c0ec78cd2
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add test for pair style e3b
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2020-08-11 08:57:40 -04:00 |
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172435b662
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add tests for lj/expand/coul/long
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2020-08-11 08:38:42 -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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b9ce53e096
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update tests for r-RESPA testing of fixes
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2020-08-10 17:03:19 -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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c3903efb46
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add test for berendsen barostat
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2020-08-09 16:45:21 -04:00 |
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4b7356f5af
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add support for testing virial contributions from fixes (as an option)
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2020-08-09 16:39:31 -04:00 |
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e51bec10a8
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one more test variant for fix setforce
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2020-08-09 15:18:28 -04:00 |
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f1da2b2f5f
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add tests for fix/csvr and fix/csld
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2020-08-09 14:56:43 -04:00 |
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6e9bf8709e
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add tests for fix rattle
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2020-08-09 13:58:10 -04:00 |
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cabb166041
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add tests for fix shake
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2020-08-09 07:40:24 -04:00 |
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a4eea29d90
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add fix setforce test with variables
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2020-08-09 07:32:46 -04:00 |
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a6cc775241
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add example for wall fix
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2020-08-09 07:25:27 -04:00 |
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1989279442
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no need to list all dependencies. if atom style full is available, the rest is, too.
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2020-08-09 07:25:15 -04:00 |
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2053776118
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increase code coverage
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2020-08-09 07:13:26 -04:00 |
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a27a03bc1a
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now also test for global scalars and vectors and t_target for thermostats
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2020-08-09 01:48:12 -04:00 |
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b1e9b6d3fc
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set variable for checking thermostat target temperature
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2020-08-09 01:33:37 -04:00 |
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4b5bc8f63b
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some more fix tests
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2020-08-08 23:14:16 -04:00 |
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511944d9bd
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add a first set of tests for timestepping fixes
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2020-08-08 22:54:58 -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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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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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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