|
|
510987dc80
|
Merge branch 'master' into multi-config-support
# Conflicts:
# cmake/Modules/Packages/MSCG.cmake
# examples/plugins/CMakeLists.txt
|
2021-10-11 17:03:41 -04:00 |
|
|
|
e79930dfb9
|
add check to prohibit using fix efield component in periodic direction with reaxff
|
2021-10-11 16:48:38 -04:00 |
|
|
|
1f4c50037b
|
Merge branch 'master' into acks2_release
|
2021-10-11 16:13:20 -04:00 |
|
|
|
2290ade2f2
|
ensure that fix efield is initialized before accessing its data.
|
2021-10-11 15:06:24 -04:00 |
|
|
|
70cbb72e42
|
Merge branch 'master' into acks2_release
|
2021-10-11 09:58:44 -04:00 |
|
|
|
cf4e671474
|
Merge branch 'master' into fmt_upgrade
|
2021-10-09 23:42:17 -04:00 |
|
|
|
c8c3e8f661
|
use predefined constant and apply optimization for power function with integer argument
|
2021-10-09 11:27:35 -04:00 |
|
|
|
018e37a2e9
|
add unit tests for bond style fene/nm/split and pair style nm/cut/split
|
2021-10-09 11:06:18 -04:00 |
|
|
|
2c7b67203a
|
recover unit test compile
|
2021-10-07 13:44:18 -04:00 |
|
|
|
c8ff66e07f
|
correct file extension for Zstd compressed files
|
2021-10-07 06:49:49 -04:00 |
|
|
|
059f450f1b
|
add uppercase string utility function (for symmetry)
|
2021-10-07 00:00:33 -04:00 |
|
|
|
a9bccee7b2
|
add utility to convert a string to lowercase
|
2021-10-06 17:43:41 -04:00 |
|
|
|
af070aa351
|
add support for seeking to the end of a file
|
2021-10-05 15:44:58 -04:00 |
|
|
|
37bfe3d0ce
|
integrate platform sub-namespace into source code and documentation
this updates function calls to functions that have been moved from
the utils namepsace or the Info class to platform::
|
2021-10-02 16:55:11 -04:00 |
|
|
|
195fe81c60
|
correct test for loading shared objects and libraries
|
2021-10-01 23:52:02 -04:00 |
|
|
|
a8193f42b8
|
Merge branch 'master' into platform-namespace
|
2021-10-01 21:58:52 -04:00 |
|
|
|
211df8b7b0
|
Avoid assertions in PythonCapabilities check when using external KOKKOS
|
2021-10-01 11:08:02 -04:00 |
|
|
|
277f7a7e51
|
reduce electric field strength
|
2021-09-30 08:29:55 -04:00 |
|
|
|
05d2002db6
|
add test for using fix acks2/reaxff with fix efield
|
2021-09-30 07:04:46 -04:00 |
|
|
|
359aa1d805
|
Merge branch 'master' into acks2_release
|
2021-09-30 00:26:25 -04:00 |
|
|
|
56cd66a6c3
|
Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
|
2021-09-29 23:05:59 -04:00 |
|
|
|
15b3e875d5
|
import files for platform namespace from standalone project w/o updating LAMMPS
|
2021-09-29 16:29:25 -04:00 |
|
|
|
24c9bd4cd2
|
silence output from hwloc when launching LAMMPS
|
2021-09-24 23:42:33 -04:00 |
|
|
|
422cab8878
|
update suffix command unit tests
|
2021-09-23 07:30:50 -04:00 |
|
|
|
914f035475
|
a few more converted commands and updates for unit tests
|
2021-09-21 17:23:41 -04:00 |
|
|
|
cbc5a2933a
|
tweak epsilon
|
2021-09-21 15:44:42 -04:00 |
|
|
|
c9a8319a93
|
use more relealistic element ratio
|
2021-09-21 15:02:45 -04:00 |
|
|
|
0ddf63acc9
|
update ACKS2 unit test with potential parameters from example
|
2021-09-21 14:41:37 -04:00 |
|
|
|
41a3eccd1c
|
apply utils::logical() to more commands
|
2021-09-21 07:48:50 -04:00 |
|
|
|
fe64649e49
|
Merge branch 'master' into multi-config-support
|
2021-09-20 20:42:03 -04:00 |
|
|
|
6adac6b637
|
Merge branch 'master' into parse-logical-keyword
|
2021-09-20 20:41:48 -04:00 |
|
|
|
6e8091470c
|
update death tests for change in error message
|
2021-09-20 20:31:13 -04:00 |
|
|
|
61c71c6605
|
return int instead of bool to minimize code changes
|
2021-09-19 18:07:56 -04:00 |
|
|
|
bfa2ea1fba
|
expand tests for numeric values
|
2021-09-19 16:38:01 -04:00 |
|
|
|
db76edbade
|
implement utils::current_date() convenience function to reduce replicated code
|
2021-09-18 09:05:35 -04:00 |
|
|
|
cef100991f
|
add utils::logical() function to complement the *numeric() functions
|
2021-09-16 17:52:51 -04:00 |
|
|
|
3caa066c28
|
simplify/optimize code
|
2021-09-15 16:23:07 -04:00 |
|
|
|
b4acacf5cb
|
add minimal example and a unit test input
|
2021-09-14 16:40:42 -04:00 |
|
|
|
daa39d680c
|
simplify
|
2021-09-11 13:43:25 -04:00 |
|
|
|
c394df5658
|
simplify and remove unused command. more multi-config adjustments
|
2021-09-11 07:30:18 -04:00 |
|
|
|
30558c0cd6
|
convert plugin compilation to also use add_subdirectory() instead of external project
|
2021-09-11 07:01:48 -04:00 |
|
|
|
932b3cabda
|
add missing include (since we not longer include GTest.cmake)
|
2021-09-11 06:05:29 -04:00 |
|
|
|
bf360ad50f
|
explicitly specify build folder for out-of-source subdirectory
|
2021-09-11 05:59:50 -04:00 |
|
|
|
68ddab0341
|
Report multi-config and adjust paths for python unit tests
|
2021-09-11 05:36:43 -04:00 |
|
|
|
84c945f7fb
|
Use multi-config compatible way to integrate googletest for unit testing
|
2021-09-11 04:50:04 -04:00 |
|
|
|
6ef8c12457
|
whitespace
|
2021-09-09 23:05:30 -04:00 |
|
|
|
7b1e951916
|
add unit test for checking properties parsed from info command output
|
2021-09-09 21:13:09 -04:00 |
|
|
|
a954ddac5a
|
add missing "private"
|
2021-09-09 18:03:17 -04:00 |
|
|
|
4e92c68244
|
allow skipping fix timestep tests when LAMMPS was compiled for static libs
|
2021-09-08 23:41:31 -04:00 |
|
|
|
8c3924352d
|
only check for meminfo[2] on platforms we know to be supported
|
2021-09-08 23:02:56 -04:00 |
|
