92c9614429
Merge branch 'develop' into refactor-find-xxx
...
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
2022-08-17 15:48:26 -04:00
29e1595fb4
Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
2022-08-13 04:51:54 -05:00
894b053ef4
silence compiler warnings
2022-08-12 17:13:44 -04:00
681ad88f08
rename fix STORE_LOCAL to STORE/LOCAL for consistency
2022-08-05 02:57:38 -04:00
40920ac6e1
improved error messages for duplicate or missing entries in manybody potential files
2022-07-22 12:41:43 -04:00
3c99a6b5c4
Correctly handle the dependency of pair style (and fix) srp/react on the MC package
2022-07-20 17:01:44 -04:00
7b7ae55238
small fix, idcreate and idbreak are already deleted in destructor now
2022-07-08 15:39:30 -04:00
d2ffc9dae8
programming style updates, fix memory leaks and uninitialized access
2022-07-07 15:57:14 -04:00
63c048ef59
simplify, modernize, and apply clang-format
2022-07-07 13:32:04 -04:00
4aa0132860
cosmetic
2022-07-07 10:35:34 -04:00
b7457fe834
Initial commit for pair style srp-react files
2022-07-06 10:55:14 -04:00
d4ea5ca49e
more clang-tidy fixes after re-running it with added settings
2022-05-14 07:18:05 -04:00
90797d53d9
one more batch of clang-tidy fixes
2022-05-13 23:21:14 -04:00
78c10bac4a
clang-format update
2022-04-23 13:08:11 -04:00
115962db88
Merge branch 'develop' into remove-error-docs-in-header
2022-04-23 12:46:54 -04:00
79a7d2abf6
remove error docs from header files
2022-04-22 23:31:15 -04:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -04:00
e1a2423f2e
modernize, initialize pointers, apply clang-format
2022-04-12 11:06:18 -04:00
36723853c9
Merge branch 'develop' into BPM
2022-04-11 12:18:34 -04:00
200b4f13c7
use dynamic cast instead of c-style cast when casting from base type to derived class
2022-04-10 18:18:06 -04:00
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
92a968a8a9
Resolving merge conflicts
2022-03-23 14:28:27 -06:00
9bbd1df57b
another chunk of neighbor list request updates
2022-03-09 19:49:08 -05:00
39f8ccdb42
Fixing an overlooked merge conflict
2022-02-18 15:33:26 -07:00
642b1e25f6
Updating to develop
2022-02-18 13:58:38 -07:00
3bc91386a0
apply include statement updates suggested by running IWYU
2022-02-13 19:39:15 -05:00
d6a6f64576
Merge pull request #3090 from rbberger/modernize_use_override
...
Modernize to C++11: use override
2022-01-28 14:10:45 -05:00
c93fba5e2d
make certain that offset is always initialized
2022-01-22 16:45:38 -05:00
06beb28d7d
Apply override to Pair classes
2022-01-21 16:13:49 -05:00
ff3f762499
Apply override to Fix classes
2022-01-21 14:45:53 -05:00
f83271aa40
Apply override to Compute classes
2022-01-21 13:23:36 -05:00
557e25d6fb
Apply override to Bond classes
2022-01-20 18:00:16 -05:00
f5ad91f9fe
minor tweaks
2022-01-19 06:28:53 -05:00
0595e4d7cd
refactor parsing of pair style list parameter file
2022-01-19 00:24:01 -05:00
439853c4a8
Moving store/local to an internal fix
2021-12-10 10:33:52 -07:00
40258f8b9a
Adding Steve's edits in documenation + associated changes in files
2021-12-03 16:12:31 -07:00
acb1c8e7f2
Moving update/special/bonds into bond style to ensure correct fix ordering
2021-11-07 17:55:53 -07:00
d7f7835069
Fix merge conflicts, minor style fixes
2021-11-01 18:13:06 -06:00
f6fb392c4d
convert some more styles to use the new APIs
2021-10-17 19:19:23 -04:00
cc11fa37b2
whitespace
2021-10-08 11:44:09 -04:00
e12fa57794
A few more tweaks
2021-10-07 17:11:04 -04:00
61c465c6f3
simplify creation of computes in fix ipi and fix plumed
2021-10-01 14:32:19 -04:00
914f035475
a few more converted commands and updates for unit tests
2021-09-21 17:23:41 -04:00
12406b90a1
more iwyu header updates
2021-09-18 21:24:01 -04:00
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -04:00
1fd25071b9
modernize
2021-09-16 01:01:19 -04:00
761e519a15
simplify
2021-09-16 00:55:02 -04:00
a47df02f79
modernize
2021-09-16 00:54:46 -04:00
7d92d665e8
use explicit scoping when virtual dispatch is not available.
2021-09-15 16:08:17 -04:00
e070766915
including lmpwindows.h globally from lmptype.h does more harm than good
...
this addresses some (cross) compilation issues locally.
in the long run, this should be addressed by implementing issue #1884
where platform specific functionality is wrapped into a small library
of generic functions adapted for LAMMPS' needs (like utils:: does for
non-portable convenience functions).
2021-09-07 10:39:16 -04:00
