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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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4708cd7e1f
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always call MPI_Finalize() before exiting tester program
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2020-08-09 15:17:53 -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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d7c1162e9d
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make plain and omp test consistent
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2020-08-09 07:12:56 -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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88f89c8f14
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correctly read entire vector
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2020-08-09 01:27:56 -04:00 |
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e94d1c5537
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add function to query whether ErrorStats class has data
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2020-08-09 01:01:35 -04:00 |
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2edad432ce
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add support for storing a global scalar and global vector
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2020-08-09 00:03:43 -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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6276e72509
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also check fix styles. properly detect upper case.
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2020-08-08 23:13:57 -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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faac18ffd2
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add tester tool for timestep related fixes: integrators, thermostats, force manipulations, constraints
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2020-08-08 22:54:17 -04:00 |
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0ce43efc34
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reorder folders, so that the fast tests are run first
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2020-08-08 22:52:41 -04:00 |
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f69dd734b2
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update format
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2020-08-08 14:48:11 -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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