|
|
fa13e23f7a
|
add atomic test for gauss pair style
|
2020-08-27 17:41:25 -04:00 |
|
|
|
fdb726629f
|
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
|
2020-08-27 17:14:05 -04:00 |
|
|
|
14b66d1f84
|
tweak test tolerance of reax/c tests for running on ubuntu 18.04
|
2020-08-25 12:15:19 -04:00 |
|
|
|
13cf665712
|
update pair style unit test input files to be compatible with testing GPU package styles
|
2020-08-23 21:47:17 -04:00 |
|
|
|
5ed24b330e
|
add preliminary support for testing pair styles in the GPU package
|
2020-08-23 21:46:18 -04:00 |
|
|
|
47a44732e7
|
add test for fix restrain
|
2020-08-23 15:29:58 -04:00 |
|
|
|
fb634658de
|
add tests for a few more force manipulation fixes
|
2020-08-23 07:01:38 -04:00 |
|
|
|
c503bba008
|
add custom pair style tests for reax/c and edip/multi
|
2020-08-23 06:44:33 -04:00 |
|
|
|
0fb8f6e779
|
add test for pair style momb
|
2020-08-22 23:15:20 -04:00 |
|
|
|
66b17fd2ce
|
dispersion only tests for buckingham
|
2020-08-22 23:03:20 -04:00 |
|
|
|
3def826dbe
|
add more tests for variants using long-range dispersion pair styles
|
2020-08-22 22:55:15 -04:00 |
|
|
|
c8f2634b44
|
add tests for tabulated msm coulomb
|
2020-08-22 22:08:08 -04:00 |
|
|
|
e78100bdba
|
add (partial) tests for pair styles dpd and dpd/tstat
|
2020-08-22 22:00:13 -04:00 |
|
|
|
4c46119a48
|
Merge pull request #2280 from lammps/gridcomm-tiled
Support for tiled decompositions in PPPM
|
2020-08-21 00:16:20 -04:00 |
|
|
|
42018d3b35
|
add dispersion only kspace style tests
|
2020-08-20 23:42:23 -04:00 |
|
|
|
a742db2369
|
add a couple of kspace tests using tiled communication
|
2020-08-20 18:08:10 -04:00 |
|
|
|
cd7ba1d007
|
Merge branch 'master' into more-fix-tests
|
2020-08-20 16:41:29 -04:00 |
|
|
|
f0335fabb1
|
Merge pull request #2295 from akohlmey/add-fix-momentum-chunk
Add fix momentum/chunk
|
2020-08-20 16:40:51 -04:00 |
|
|
|
5306b39251
|
add tests for a few more wall fixes
|
2020-08-20 15:42:00 -04:00 |
|
|
|
56d00e115d
|
add more tests for fixes
|
2020-08-20 15:32:47 -04:00 |
|
|
|
ba00626764
|
more force adding fix tests
|
2020-08-20 10:59:39 -04:00 |
|
|
|
e72ea35c40
|
add tests for a bunch of rigid fixes
|
2020-08-20 10:10:25 -04:00 |
|
|
|
ca7fa2aeef
|
make names of fix-timestep inputs consistent with the rest
|
2020-08-20 09:25:40 -04:00 |
|
|
|
20c24b1f3b
|
add tests for momentum fixes and nve/limit
|
2020-08-19 15:08:46 -04:00 |
|
|
|
b1fbee9bd0
|
skip testing fix nve/limit for r-RESPA as it is not compatible by design
|
2020-08-19 15:08:32 -04:00 |
|
|
|
1413e61553
|
tweak test presision so it passes with more compilers
|
2020-08-19 00:59:50 -04:00 |
|
|
|
39750c482d
|
add tester for dihedral style and few tests
|
2020-08-15 00:19:56 -04:00 |
|
|
|
051ab1f5c2
|
add test for dihedral style
|
2020-08-14 23:21:30 -04:00 |
|
|
|
a65c672afc
|
add tests for all improper styles except hybrid
|
2020-08-14 23:10:35 -04:00 |
|
|
|
194fe17263
|
merge conflicts in cmakelist
|
2020-08-14 22:33:10 -04:00 |
|
|
|
5050538d59
|
add tests for addforce and aveforce fixes
|
2020-08-11 21:00:16 -04:00 |
|
|
|
4cfc920d65
|
remove unused variable
|
2020-08-11 19:58:51 -04:00 |
|
|
|
51a7038dbf
|
Merge branch 'master' into fix-tester
|
2020-08-11 16:14:27 -04:00 |
|
|
|
11af732aab
|
tweak precision for edip test
|
2020-08-11 15:43:03 -04:00 |
|
|
|
65d9eef707
|
add test for pair style extep
|
2020-08-11 09:57:32 -04:00 |
|
|
|
6b84cd1c48
|
add test for pair style morse/smooth/linear
|
2020-08-11 09:57:23 -04:00 |
|
|
|
5c0ec78cd2
|
add test for pair style e3b
|
2020-08-11 08:57:40 -04:00 |
|
|
|
172435b662
|
add tests for lj/expand/coul/long
|
2020-08-11 08:38:42 -04:00 |
|
|
|
5ee4346700
|
fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles
|
2020-08-10 17:16:07 -04:00 |
|
|
|
b9ce53e096
|
update tests for r-RESPA testing of fixes
|
2020-08-10 17:03:19 -04:00 |
|
|
|
70f37d6613
|
update for handling r-RESPA properly
|
2020-08-10 17:02:56 -04:00 |
|
|
|
33c97618be
|
using hybrid/overaly to add soft repulsion to purely coulombic pair-styles
|
2020-08-10 16:52:32 -04:00 |
|
|
|
a83147ce20
|
fixed bug in respa neighbor list
|
2020-08-10 16:01:28 -04:00 |
|
|
|
b92eda8ab8
|
enable testing with r-RESPA for real
|
2020-08-09 17:36:15 -04:00 |
|
|
|
c3903efb46
|
add test for berendsen barostat
|
2020-08-09 16:45:21 -04:00 |
|
|
|
4b7356f5af
|
add support for testing virial contributions from fixes (as an option)
|
2020-08-09 16:39:31 -04:00 |
|
|
|
e51bec10a8
|
one more test variant for fix setforce
|
2020-08-09 15:18:28 -04:00 |
|
|
|
4708cd7e1f
|
always call MPI_Finalize() before exiting tester program
|
2020-08-09 15:17:53 -04:00 |
|
|
|
f1da2b2f5f
|
add tests for fix/csvr and fix/csld
|
2020-08-09 14:56:43 -04:00 |
|
|
|
6e9bf8709e
|
add tests for fix rattle
|
2020-08-09 13:58:10 -04:00 |
|
