4e25204296
add vararg versions of Error::all() and Error::one() plus unit tests
2021-04-25 19:04:49 -04:00
60c2d8ea5b
rather than replicate code, expand format to string and call original function
2021-04-25 18:33:37 -04:00
ba4781bd82
restore old string matching as it works just as well (on my machine)
2021-04-25 01:14:57 -04:00
b7088a14ae
use alternate way to compare strings
2021-04-25 00:45:10 -04:00
ba5f531619
add some basic tests for the "processors" command
2021-04-25 00:44:51 -04:00
43325dca82
update/add tests about starting up LAMMPS
...
- move the test checking the help message from the c++ library
to running the executable and checking the output
- add a command line test for errors on invalid command line flags
- add a c++ library test checking if ntreads is set to 1 without OMP_NUM_THREADS
2021-04-25 00:19:22 -04:00
539ab02365
provide more generic implementation of Comm::read_lines_from_file() in utils
2021-04-24 21:05:11 -04:00
e6f57cdf2c
minor tweaks
2021-04-24 07:21:29 -04:00
66f690004d
correctly test move constructors
2021-04-24 07:14:49 -04:00
0aa64eaf14
portability improvement. replace POSIX-only functionality.
2021-04-24 07:14:29 -04:00
e980d17882
reuse existing code. add tests for write_data
2021-04-24 07:14:04 -04:00
2c4017d3ac
add test for write_dump cfg
2021-04-24 07:13:26 -04:00
9e7d26351d
tweak epsilon for GPU package tests
2021-04-24 07:13:06 -04:00
6a9b441331
add tests for writing restart files
2021-04-24 01:22:23 -04:00
cf81f72aad
more tests for tokenizer classes
2021-04-24 01:22:06 -04:00
8c50f56548
add unit test for TextFileReader class
2021-04-24 00:31:46 -04:00
9cdd926763
remove excess quotes
2021-04-23 19:19:41 -04:00
a438c2bc7b
tweak unit test YAML epsilon values for GPU mixed precision tests to pass
2021-04-23 05:43:03 -04:00
a49d783e16
check formatting and multiple arguments when using utils::logmesg()
2021-04-22 05:44:35 -04:00
7e2d40c5fa
Merge pull request #2642 from rbberger/balance_tests
...
MPI balancing testing
2021-04-21 16:00:01 -04:00
1656661fc2
Disable rcb_min_size test
2021-04-21 11:17:32 -04:00
9b59e901bc
update reax/c tests. disable OpenMP tests as that code is broken.
2021-04-21 09:54:59 -04:00
d2008aa362
add test for reaxff using coulomb tabulation
2021-04-21 01:19:45 -04:00
08f4c30051
Merge branch 'master' into refactor-reaxff-parser
2021-04-20 20:52:18 -04:00
2e01bb8f62
Merge pull request #2713 from rbberger/collected_small_changes
...
Collected small changes
2021-04-20 20:40:49 -04:00
b014e8b94f
revert standard reax/c test
2021-04-20 17:15:52 -04:00
7696d0f84c
Add ENVIRONMENT to RunLammps test
2021-04-20 15:40:59 -04:00
c543815692
small tweaks
2021-04-20 15:28:42 -04:00
daaebd55a6
add QEQ parameter file
2021-04-20 14:56:27 -04:00
678e243430
small update of unit test inputs
2021-04-20 14:54:14 -04:00
ae570c05d8
we don't need to hardcode pair styles to skip specific tests, but use YAML file for it
2021-04-20 14:53:44 -04:00
fec12020ac
add unit tests for fix qeq/point and fix qeq/shielded
2021-04-20 14:52:29 -04:00
fcf17a709e
Don't store group if initial assignment failed
2021-04-20 14:24:07 -04:00
8826e962de
Add info message when death test is skipped
2021-04-20 14:06:08 -04:00
a6efdf9b9f
Clean up molecule files creation
2021-04-19 15:14:01 -04:00
bc4b4147ef
Avoid filename collisions with AtomStyles test
2021-04-19 14:57:41 -04:00
c46f1b5241
modify tests for hybrid pair styles to include some pair_coeff none settings
2021-04-19 08:51:53 -04:00
f3eb577b3b
update hybrid tests, enable test for hybrid with CPU neigh list and no multiples of the same style
2021-04-19 01:14:25 -04:00
9469cba081
enable GPU unit test for pair style lj/charmm/coul/charmm
2021-04-19 00:34:22 -04:00
f1680b0fdd
enable unit test runs on the GPU for tersoff and tersoff/zbl
2021-04-18 20:43:48 -04:00
f07fa3d266
Merge pull request #2704 from rbberger/compress_package
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More refactoring of COMPRESS package
2021-04-12 23:01:35 -04:00
dba3cce883
Make dump xyz/gz, xyz/zstd compatible to 'buffer no' option
2021-04-12 20:03:58 -04:00
47814292a1
Make dump cfg/gz, cfg/zstd compatible to 'buffer no' option
2021-04-12 19:57:27 -04:00
0ca9f2e8a0
Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
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USER-PACE pair_style integration into LAMMPS
2021-04-12 17:05:40 -04:00
d88cf587b2
add pair style coul/cut/global and fix restart/data bugs in coul/cut
2021-04-10 00:25:00 -04:00
0628bb89ce
Merge branch 'master' into pair-hybrid-scaled
2021-04-09 22:21:16 -04:00
c16e4f241f
replace "leaky" call to putenv() with setenv() on non-windows platforms
2021-04-09 20:37:01 -04:00
a69c5a5cae
fix bugs in shell putenv and getenv style variables. add more unit tests.
2021-04-09 20:19:04 -04:00
e5ee210f58
Make dump atom/gz, atom/zstd compatible to 'buffer no' option
2021-04-09 18:02:55 -04:00
242881af55
Make dump custom/gz, custom/zstd compatible to 'buffer no' option
2021-04-09 17:46:59 -04:00
