|
|
55a138cdca
|
add tests for anisotropic and triclinic box relaxation
|
2016-07-28 16:47:28 -04:00 |
|
|
|
ec9c9a235a
|
make python library tests python3 compatible
|
2016-07-19 11:35:02 -04:00 |
|
|
|
51e86f6519
|
update syntax in respa for fixes tests
|
2016-06-16 17:55:47 -04:00 |
|
|
|
5a950e73bf
|
3 new test cases to check adjusting the respa level for fixes
|
2016-06-13 23:47:13 -04:00 |
|
|
|
48012d2b19
|
update .gitignore files
|
2016-05-31 23:59:01 -04:00 |
|
|
|
4482096c7b
|
implement a write_coeff command to complement the recent nocoeff hacks
|
2016-04-22 23:09:48 -04:00 |
|
|
|
823bb13c2b
|
use nocoeff keyword for skipping force field info when reading data file
|
2016-04-21 21:18:56 -04:00 |
|
|
|
122523c51d
|
rename "nocoeffs" flag to "nocoeff" to be consistent with write_data
|
2016-04-21 21:12:01 -04:00 |
|
|
|
c1ca20df49
|
add test for new feature to read data files with force field data using zero styles
|
2016-04-21 17:57:08 -04:00 |
|
|
|
6e4c0fa954
|
update tests for compute bond to match steve's changes
|
2016-03-29 07:43:00 -04:00 |
|
|
|
6eb1ade2f0
|
add simple test for newly added compute bond command
|
2016-03-12 20:31:55 -05:00 |
|
|
|
e45ca540e0
|
try different strategy to avoid unexpected deadlocks with MPI+OpenMP when oversubscribing build nodes.
|
2016-03-10 22:47:18 -05:00 |
|
|
|
c954b454ba
|
disable another test that fails with 4xMPI+1xOpenMP
|
2016-03-10 11:24:51 -05:00 |
|
|
|
874bd68cd1
|
disable test to avoid errors in TravisCI with docker based testing
|
2016-03-10 10:30:30 -05:00 |
|
|
|
a8aadcc1dc
|
run all inputs twice: once with -screen none, onece with -log none
|
2016-02-18 17:08:20 +01:00 |
|
|
|
7ed4da41c8
|
test 2x MPI w/o OpenMP instead of 2+2 for now
|
2015-12-16 17:20:47 -05:00 |
|
|
|
dcf6b8e046
|
temporarily disable test until we find out what causes the OpenMP issues
|
2015-12-16 13:28:50 -05:00 |
|
|
|
4ef17e1132
|
add some simple tests for displace_atoms
|
2015-10-26 19:15:26 -04:00 |
|
|
|
58176fdc78
|
add some simple tests for rerun.
|
2015-10-26 08:32:00 -04:00 |
|
|
|
a5c53c967f
|
add test for vashishta potential
|
2015-10-16 06:39:56 -04:00 |
|
|
|
b58667ce16
|
add test for shake with one angle and two different bond lengths to constrain
|
2015-10-15 16:54:50 -04:00 |
|
|
|
6e53fc9e7d
|
add tests for dihedral style table culled from LAMMPS mail archive
|
2015-09-29 16:31:52 -04:00 |
|
|
|
ef13e06a93
|
minimizer test cases
|
2015-09-28 11:32:06 -04:00 |
|
|
|
06e347d0ee
|
finally re-enable r-RESPA tests and use is_active() to skip them for USER-OMP
|
2015-09-10 17:28:06 -04:00 |
|
|
|
c60e7475a0
|
some more tests for CG models
|
2015-09-10 12:03:40 -04:00 |
|
|
|
b4f626fe1c
|
some more simple tests added
|
2015-09-10 11:29:19 -04:00 |
|
|
|
cfbaae1ffa
|
add some more tests from the OpenMP example library
|
2015-09-10 11:19:59 -04:00 |
|
|
|
49f2b31324
|
add changes that makes testing the library interface tests work for C/C++
|
2015-09-08 16:48:29 -04:00 |
|
|
|
59177115d2
|
added partial implementation for testing the library interface from C/C++
|
2015-09-03 15:59:08 -04:00 |
|
|
|
8bc71f43ff
|
add example with passing cmdline flags to the LAMMPS instance
|
2015-09-02 17:05:26 -04:00 |
|
|
|
f302682245
|
correct ordering of command line arguments for python tests
|
2015-09-01 21:46:26 -04:00 |
|
|
|
609f84cf74
|
we must not cause non-zero exist status in .travis.yml. use relative path for python installation.
|
2015-09-01 21:16:43 -04:00 |
|
|
|
354af81266
|
add clean target to python module test dir
|
2015-09-01 18:59:35 -04:00 |
|
|
|
96a941c6b5
|
add maintain list of files to ignore
|
2015-09-01 18:54:16 -04:00 |
|
|
|
bf07465617
|
add integration testing for python module
|
2015-09-01 18:53:03 -04:00 |
|
|
|
f3b15d6262
|
add access to Universe::numver in info and variable
|
2015-08-31 18:03:42 -04:00 |
|
|
|
02b9eeed5f
|
adapt test inputs to "timers -> timer" command rename
|
2015-08-29 07:08:14 -04:00 |
|
|
|
01a5ea6fb9
|
disable currently unsupported r-RESPA tests and re-enabled comm tests
|
2015-08-26 15:46:55 -04:00 |
|
|
|
99c403139d
|
disable comm_style related tests for now to validate if local test and CI agree
|
2015-08-26 11:52:44 -04:00 |
|
|
|
37c5db10af
|
add test for deleting tally computes "in the middle". fails if not properly deregistered.
|
2015-08-26 07:33:53 -04:00 |
|
|
|
ee18ec8ec2
|
correct path to data file.
|
2015-08-26 01:11:38 -04:00 |
|
|
|
9a5265221c
|
more tests for recently added features
|
2015-08-25 22:23:20 -04:00 |
|
|
|
3741282801
|
trigger per type communication cutoff output in test
|
2015-08-25 22:19:02 -04:00 |
|
|
|
daec4f0153
|
add a run 0 to test, so we get to see the multi-type communication cutoffs
|
2015-08-25 21:28:26 -04:00 |
|
|
|
f54d5175f7
|
small update to test input for AWPMD to make them consistent
|
2015-08-19 16:48:20 -04:00 |
|
|
|
ed36bef66c
|
remove bogus log file
|
2015-08-19 16:46:42 -04:00 |
|
|
|
7bda7dfa3d
|
enable building MEAM (fortran!) and USER-AWPMD
|
2015-08-19 16:44:51 -04:00 |
|
|
|
8ba4f16082
|
incorporate some more of the standard examples as tests
|
2015-08-19 08:01:35 -04:00 |
|
|
|
b5320aceff
|
test input for various run style respa options
|
2015-08-16 20:22:16 -04:00 |
|
|
|
80ce074de0
|
added minimal tests for empty inputs and read_data
|
2015-08-16 20:10:53 -04:00 |
|
