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065c4939ed
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relax some unit test epsilons, so the tests pass on MacOS
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2021-01-29 18:48:05 -05:00 |
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8260fbd344
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add unit test for wf/cut pair style
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2021-01-28 03:48:39 -05:00 |
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5e6411ea5a
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Merge pull request #2514 from oywg11/tersoff-shift
Add a shift option to most Tersoff potential variants
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2021-01-15 13:59:56 -05:00 |
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59ef2e17ea
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add eam/he pair style to distribution
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2021-01-13 22:24:44 -05:00 |
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412d1c1b72
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rebless unit test data for tersoff shift bugfix
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2021-01-11 04:21:23 -05:00 |
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6bdf427522
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add unit tests for tersoff pair styles used with shift keyword
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2021-01-04 23:13:38 -05:00 |
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384376bc51
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increase precision of lj/cubic constants and document how to compute them
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2020-12-18 22:33:56 -05:00 |
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181b18beeb
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tweak epsilon for better compiler compatibility
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2020-12-17 07:21:17 -05:00 |
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6671e7ba3c
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relax some more unittest thresholds to reduce failures with crappy compilers
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2020-12-15 20:37:14 -05:00 |
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302d024909
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Make reaxc test case less sensitive
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2020-11-30 17:03:10 -05:00 |
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bddbc516b5
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Merge branch 'master' into collected-small-changes
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2020-11-29 12:26:30 -05:00 |
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569a000e6b
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reformat unittest sources with clang-format
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2020-11-25 16:51:41 -05:00 |
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abdfcceab2
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Merge branch 'master' into bond_gaussian
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2020-11-25 15:50:54 -05:00 |
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af179f9901
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yaml file for angle gaussian
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2020-11-14 17:20:13 +01:00 |
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80d9b22105
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yaml file for bond gaussian
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2020-11-14 16:52:26 +01:00 |
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2f3cbfed13
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add CMake code to download and compile libyaml if not found locally
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2020-11-10 17:58:26 -05:00 |
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5159d255a7
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update bundled fmtlib to version 7.1.0
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2020-10-26 11:02:09 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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e23774ed56
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include "pointers.h" to avoid include file name conflicts when compiling with USER-VTK enabled
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2020-10-13 15:26:38 -04:00 |
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9c0808e95a
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update unit tests for move of version string location
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2020-09-19 15:00:03 -04:00 |
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0522e3d7b6
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a few more unittest tweaks
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2020-09-17 11:11:44 -04:00 |
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00641f9f24
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relax epsilon a little for passing cross-platform tests
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2020-09-17 11:01:59 -04:00 |
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e2fc70da62
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Merge branch 'master' into collected-small-changes
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2020-09-17 06:51:21 -04:00 |
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b9919b72d7
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make MSM test w/o PBC run faster
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2020-09-16 23:36:17 -04:00 |
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0931cdd109
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relax epsilon for rigid body integrators
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2020-09-16 14:07:28 -04:00 |
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981d60f1bd
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update rigid tests for new eigensolver
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2020-09-15 22:47:52 -04:00 |
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0f6a34775c
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 17:44:31 -04:00 |
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618b08dcfc
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Merge branch 'master' into symbolic-atom-constants
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2020-09-15 14:58:13 -04:00 |
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3dd3c6a2a5
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redo fix for class member shadowing while avoiding overflowing levels
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2020-09-15 14:48:55 -04:00 |
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b5832191d8
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Merge pull request #2364 from akohlmey/force-test-bugfix
Force style unit test template bugfix
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2020-09-15 13:40:13 -04:00 |
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e30864431f
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add test for missing quartic bond style
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2020-09-15 10:12:18 -04:00 |
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238730b13d
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update epsilon
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2020-09-15 09:55:58 -04:00 |
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c6b6369d2d
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fix bug in input script templates that would have the timestep setting overwritten by a units command
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2020-09-15 09:46:57 -04:00 |
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69962b4de5
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add test for MSM kspace without periodic boundaries
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2020-09-12 11:10:38 -04:00 |
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47b3039b28
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update unit tests, too
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2020-09-11 19:24:32 -04:00 |
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2ffb5ddd5a
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add kspace dependency to coul/streitz/long test
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2020-09-01 17:34:08 -04:00 |
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b1cca2cf74
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update reference data for molecular test with pair style beck
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2020-08-27 19:00:20 -04:00 |
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fa13e23f7a
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add atomic test for gauss pair style
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2020-08-27 17:41:25 -04:00 |
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fdb726629f
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revert "fix" for pair style beck/gpu and correct beck and beck/omp instead
we should consistently apply factor_lj for both, force and energy, or not
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2020-08-27 17:14:05 -04:00 |
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14b66d1f84
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tweak test tolerance of reax/c tests for running on ubuntu 18.04
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2020-08-25 12:15:19 -04:00 |
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47a44732e7
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add test for fix restrain
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2020-08-23 15:29:58 -04:00 |
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fb634658de
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add tests for a few more force manipulation fixes
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2020-08-23 07:01:38 -04:00 |
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c503bba008
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add custom pair style tests for reax/c and edip/multi
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2020-08-23 06:44:33 -04:00 |
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0fb8f6e779
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add test for pair style momb
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2020-08-22 23:15:20 -04:00 |
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66b17fd2ce
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dispersion only tests for buckingham
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2020-08-22 23:03:20 -04:00 |
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3def826dbe
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add more tests for variants using long-range dispersion pair styles
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2020-08-22 22:55:15 -04:00 |
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c8f2634b44
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add tests for tabulated msm coulomb
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2020-08-22 22:08:08 -04:00 |
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e78100bdba
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add (partial) tests for pair styles dpd and dpd/tstat
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2020-08-22 22:00:13 -04:00 |
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4c46119a48
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Merge pull request #2280 from lammps/gridcomm-tiled
Support for tiled decompositions in PPPM
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2020-08-21 00:16:20 -04:00 |
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42018d3b35
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add dispersion only kspace style tests
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2020-08-20 23:42:23 -04:00 |
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