f783958e39
add test for create_atoms()
2021-10-26 12:11:28 -04:00
b6c610ada2
tweak epsilon for portability to MSVC compilers
2021-10-22 14:12:19 -04:00
7318aa49d8
set define for static linkage to avoid issues linking libyaml on windows
2021-10-22 12:12:20 -04:00
5c9a4f4be0
implement platform abstraction of unsetenv()
2021-10-22 11:05:32 -04:00
bd9ad288b9
recover compilation of test on windows
2021-10-22 09:13:07 -05:00
d7d1c84b35
only build a custom YAML lib, if not installed
2021-10-22 08:56:00 -04:00
ced96441ef
update hash after change in repo
2021-10-22 08:44:30 -04:00
ad81dd3960
recover original new style library target names through ALIAS library definitions
2021-10-22 08:23:49 -04:00
b57c8bda51
build yaml library using custom CMakeLists.txt file
2021-10-21 23:39:56 -04:00
8d6461ffcd
whitespace
2021-10-21 23:39:14 -04:00
7cc5092547
make portable to MSVC++
2021-10-21 21:01:59 -04:00
6ad03498c3
make finding plugins for testing multi-config compatible
2021-10-21 19:22:01 -04:00
6e3fcce9e1
move download and extract code into function
2021-10-21 17:35:49 -04:00
d8db9dd3ac
Merge branch 'develop' into multi-config-support
...
# Conflicts:
# cmake/Modules/GTest.cmake
2021-10-21 10:26:31 -04:00
a0b25acf35
refactor loops using (auto var : container) syntax
2021-10-20 21:58:31 -04:00
85433e8bd1
use true/false instead of 1/0 detected and changed by clang-tidy
2021-10-20 12:41:02 -04:00
26b368848b
Add support for an "Update #" appendix to the version string
...
This is for informative output only, so that any code depending
on the LAMMPS_VERSION define will not have to be changed and no
warnings will be printed etc.
2021-10-17 18:06:29 -04:00
8cf030e476
small tweak for mixed precision GPU runs
2021-10-16 07:28:16 -04:00
6827f71f26
pppm kspace styles also require -DFFT_SINGLE when using GPUs in single precision
2021-10-15 20:23:07 -04:00
d857685e74
use emplace_back() instead of push_back()
2021-10-14 01:31:48 -04:00
27145d2789
catch up on refactoring default destructors that were missed previously
2021-10-14 01:12:04 -04:00
2fba6b44e4
use '= default' when default functions should be used
2021-10-13 23:59:05 -04:00
cc416b97f0
Merge pull request #2990 from akohlmey/clang-tidy-refactor
...
First chunk of semi-automated refactoring using clang-tidy
2021-10-13 22:51:25 -04:00
56ce880b32
update force-style test data with corrected efield strength computation
2021-10-13 18:06:49 -04:00
9cfb822847
Merge branch 'master' of github.com:lammps/lammps into acks2_release
2021-10-13 13:37:04 -06:00
165708adeb
use nullptr in unittest tree
2021-10-12 22:52:50 -04:00
1d1573c5f2
Merge branch 'develop' into multi-config-support
2021-10-12 14:42:32 -04:00
a1ff9e35b7
Avoid file name collisions in dump unit tests
2021-10-12 12:15:19 -04:00
93d6e6dec9
update for new way of using googletest
2021-10-12 11:46:37 -04:00
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
