da3115be2c
Merge branch 'develop' into more-clang-tidy-refactoring
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# Conflicts:
# src/MANIFOLD/manifold_thylakoid.cpp
2021-10-27 15:23:57 -04:00
f783958e39
add test for create_atoms()
2021-10-26 12:11:28 -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
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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
a1ff9e35b7
Avoid file name collisions in dump unit tests
2021-10-12 12:15:19 -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
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
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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
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# 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
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
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
