Homec4science
Diffusion lammps (master) Graph

lammps/test
master

History Graph

CommitAuthorDetailsCommitted
55a138cdca6aAxel Kohlmeyer
add tests for anisotropic and triclinic box relaxation 
Jul 28 2016
ec9c9a235a2bAxel Kohlmeyer
make python library tests python3 compatible 
Jul 19 2016
51e86f6519ddAxel Kohlmeyer
update syntax in respa for fixes tests 
Jun 16 2016
5a950e73bf89Axel Kohlmeyer
3 new test cases to check adjusting the respa level for fixes 
Jun 14 2016
48012d2b19e6Axel Kohlmeyer
update .gitignore files 
Jun 1 2016
4482096c7b68Axel Kohlmeyer
implement a write_coeff command to complement the recent nocoeff hacks 
Apr 23 2016
823bb13c2b06Axel Kohlmeyer
use nocoeff keyword for skipping force field info when reading data file 
Apr 22 2016
122523c51d32Axel Kohlmeyer
rename "nocoeffs" flag to "nocoeff" to be consistent with write_data 
Apr 22 2016
c1ca20df49ebAxel Kohlmeyer
add test for new feature to read data files with force field data using zero… 
Apr 21 2016
6e4c0fa95435Axel Kohlmeyer
update tests for compute bond to match steve's changes 
Mar 29 2016
6eb1ade2f0adAxel Kohlmeyer
add simple test for newly added compute bond command 
Mar 13 2016
e45ca540e0b7Axel Kohlmeyer
try different strategy to avoid unexpected deadlocks with MPI+OpenMP when… 
Mar 11 2016
c954b454bac9Axel Kohlmeyer
disable another test that fails with 4xMPI+1xOpenMP 
Mar 10 2016
874bd68cd12fAxel Kohlmeyer
disable test to avoid errors in TravisCI with docker based testing 
Mar 10 2016
a8aadcc1dc25Axel Kohlmeyer
run all inputs twice: once with -screen none, onece with -log none 
Feb 18 2016
7ed4da41c835Axel Kohlmeyer
test 2x MPI w/o OpenMP instead of 2+2 for now 
Dec 16 2015
dcf6b8e04676Axel Kohlmeyer
temporarily disable test until we find out what causes the OpenMP issues 
Dec 16 2015
4ef17e113216Axel Kohlmeyer
add some simple tests for displace_atoms 
Oct 27 2015
58176fdc78c6Axel Kohlmeyer
add some simple tests for rerun. 
Oct 26 2015
a5c53c967f17Axel Kohlmeyer
add test for vashishta potential 
Oct 16 2015
b58667ce16bbAxel Kohlmeyer
add test for shake with one angle and two different bond lengths to constrain 
Oct 15 2015
6e53fc9e7dcdAxel Kohlmeyer
add tests for dihedral style table culled from LAMMPS mail archive 
Sep 29 2015
ef13e06a93c1Axel Kohlmeyer
minimizer test cases 
Sep 28 2015
06e347d0ee36Axel Kohlmeyer
finally re-enable r-RESPA tests and use is_active() to skip them for USER-OMP 
Sep 10 2015
c60e7475a0e6Axel Kohlmeyer
some more tests for CG models 
Sep 10 2015
b4f626fe1cd4Axel Kohlmeyer
some more simple tests added 
Sep 10 2015
cfbaae1ffa1cAxel Kohlmeyer
add some more tests from the OpenMP example library 
Sep 10 2015
49f2b3132432Axel Kohlmeyer
add changes that makes testing the library interface tests work for C/C++ 
Sep 8 2015
59177115d23eAxel Kohlmeyer
added partial implementation for testing the library interface from C/C++ 
Sep 3 2015
8bc71f43ff61Axel Kohlmeyer
add example with passing cmdline flags to the LAMMPS instance 
Sep 2 2015
f30268224552Axel Kohlmeyer
correct ordering of command line arguments for python tests 
Sep 2 2015
609f84cf747aAxel Kohlmeyer
we must not cause non-zero exist status in .travis.yml. use relative path for… 
Sep 2 2015
354af812664cAxel Kohlmeyer
add clean target to python module test dir 
Sep 2 2015
96a941c6b53eAxel Kohlmeyer
add maintain list of files to ignore 
Sep 2 2015
bf07465617e7Axel Kohlmeyer
add integration testing for python module 
Sep 2 2015
f3b15d6262e4Axel Kohlmeyer
add access to Universe::numver in info and variable 
Sep 1 2015
02b9eeed5f18Axel Kohlmeyer
adapt test inputs to "timers -> timer" command rename 
Aug 29 2015
01a5ea6fb935Axel Kohlmeyer
disable currently unsupported r-RESPA tests and re-enabled comm tests 
Aug 26 2015
99c403139dbeAxel Kohlmeyer
disable comm_style related tests for now to validate if local test and CI agree 
Aug 26 2015
37c5db10afebAxel Kohlmeyer
add test for deleting tally computes "in the middle". fails if not properly… 
Aug 26 2015
ee18ec8ec217Axel Kohlmeyer
correct path to data file. 
Aug 26 2015
9a5265221c70Axel Kohlmeyer
more tests for recently added features 
Aug 26 2015
37412828017cAxel Kohlmeyer
trigger per type communication cutoff output in test 
Aug 26 2015
daec4f01537aAxel Kohlmeyer
add a run 0 to test, so we get to see the multi-type communication cutoffs 
Aug 26 2015
f54d5175f7a7Axel Kohlmeyer
small update to test input for AWPMD to make them consistent 
Aug 19 2015
ed36bef66c12Axel Kohlmeyer
remove bogus log file 
Aug 19 2015
7bda7dfa3dfcAxel Kohlmeyer
enable building MEAM (fortran!) and USER-AWPMD 
Aug 19 2015
8ba4f16082efAxel Kohlmeyer
incorporate some more of the standard examples as tests 
Aug 19 2015
b5320aceff42Axel Kohlmeyer
test input for various run style respa options 
Aug 17 2015
80ce074de02aAxel Kohlmeyer
added minimal tests for empty inputs and read_data 
Aug 17 2015
59efd6cb7812Axel Kohlmeyer
some more processors and load balancing inputs 
Aug 17 2015
75efe7da4593Axel Kohlmeyer
add some commands for communication and load balancing 
Aug 17 2015
2319e569b5a5Axel Kohlmeyer
basic integration of Travis-CI for build testing 
Aug 15 2015
4ce5622932a0Axel Kohlmeyer
removing outdated tests and attempts at a regression suite 
Sep 7 2014
1ec5ab76a93aAxel Kohlmeyer
handle citation marker in test comparison program 
Oct 6 2013
f77ac8175847Axel Kohlmeyer
cleanups 
Jun 30 2013
4b0e911573fdW. Michael Brown
Code formatting and added log file for table with bitmap for regression tests. 
Jan 19 2012
f2fc03bf8e2dW. Michael Brown
Making regression test logs consistent with new tests. 
Jan 19 2012
922a9d172d1eW. Michael Brown
Renaming eam/alloy/gpu tests. 
Jan 18 2012
5870b4fff77bW. Michael Brown
Merge branch 'master' of https://bitbucket.org/wb8/lal 
Jan 18 2012
9fc0083f6a91Nguyen
Updated the potential table with two entries 
Jan 18 2012
7f703cb29a5fNguyen
Rearranged pair table/gpu kernels, bugs in bitmap style 
Jan 18 2012
67362186addfNguyen
Added tests for two-type eam 
Jan 18 2012
9536e6921158W. Michael Brown
Cleaning up new regression tests. Fresh run of all tests for CPU/GPU. Table… 
Jan 18 2012
ef3365d3ff86W. Michael Brown
Renaming some regression tests. Removing eam energy conservation test. Adding… 
Jan 17 2012
d8657857868eW. Michael Brown
Moving energy pointer offset to only happen with eflag in eam. Adding some… 
Dec 19 2011
51e3ab376454Trung Nguyen
Fixed bugs in passing fp to energy kernel, switch fp to numtyp, virial… 
Dec 3 2011
c5f95f932e5bNguyen
Actually added buck/gpu, buck/coul/gpu tests and an example table for table/gpu… 
Nov 29 2011
7e3984afe455Nguyen
Added tests for buck/gpu, buck/coul/gpu, table/gpu and yukawa/gpu 
Nov 29 2011
ccfb641e19b5Nguyen
Added energy conservation tests for eam/gpu 
Nov 29 2011
64ec9a8cd080Nguyen
Replace __float2int_rn with __float2int_rd so that it gives the same answer as… 
Nov 16 2011
0fd91e084e15Nguyen
Modified EAM tests 
Nov 15 2011
aab9de47199cNguyen
Add more EAM tests 
Nov 15 2011
ea346772202cW. Michael Brown
Fixed preprocessor compile errors in DOUBLE precision CUDA compiles. Added… 
Nov 15 2011
d667f1e3496aNguyen
Add EAM cpu/gpu tests 
Nov 15 2011
4d96e85601aeW. Michael Brown
Adding LAMMPS regression tests to LAMMPS from old code repository. 
Nov 14 2011
c4science · Help