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
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
888d6fd9b4
small update
2021-08-31 14:20:52 -04:00
9a19a814e4
apply clang-format to packages
2021-08-23 21:06:33 -04:00
29bf3acd9e
apply changes to modify class
2021-08-06 18:34:32 -04:00
c49a533ad9
reformat, simplify, add reference log files
2021-07-29 15:40:43 -04:00
b108da3e5c
simplify format handling
2021-07-29 15:26:29 -04:00
dcff3d70e0
simplify fix instance creation
2021-07-29 15:18:58 -04:00
852f18525d
complete moving packages and styles around
2021-07-23 18:11:25 -04:00
d2684a2370
Merge branch 'master' into package-reorganization2
2021-07-23 07:41:10 -04:00
c33bead8b1
silence static code analysis warning
2021-07-22 23:26:22 -04:00
d16f751413
Merge branch 'master' into package-reorganization2
2021-07-21 10:23:04 -04:00
63794aa698
Merge branch 'master' into track-contacts
...
# Conflicts:
# doc/src/Packages_details.rst
# src/DIELECTRIC/pair_coul_cut_dielectric.h
# src/MISC/fix_pair_tracker.cpp
# src/MISC/fix_pair_tracker.h
# src/MISC/pair_tracker.cpp
# src/MISC/pair_tracker.h
# src/pair_tracker.h
2021-07-20 16:19:38 -04:00
6571a84884
move some styles around
2021-07-09 16:54:00 -04:00
411d1f1240
move fix imd from USER-MISC to MISC
2021-07-02 13:19:47 -04:00
f2a6329fe7
silence compiler warnings
2021-06-04 09:07:53 -04:00
2500169193
whitespace
2021-06-04 00:57:26 -04:00
4d3897c482
update LAMMPS homepage URLs
2021-06-04 00:49:30 -04:00
d17b49a894
apply clang-format
2021-06-04 00:43:45 -04:00
80f28e7fa9
fixing merge conflicts, update to master
2021-06-02 12:33:37 -06:00
77f009126a
Fixing comments and log files
2021-06-02 12:12:17 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
14617cf4d2
Increasing chances for copying neighborlists
2021-05-21 11:28:21 -06:00
afaf992ac2
Second working of bits for neigh/history
2021-05-21 11:06:34 -06:00
0c6857914d
Adding example, misc patches
2021-05-18 20:57:24 -06:00
1f89d9b315
Adding documentation, misc changes
2021-05-18 14:04:49 -06:00
7fcd449864
apply clang-format to all headers with some exceptions
2021-05-14 19:16:07 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
3eef759bb1
Merge pull request #2749 from akohlmey/varargs-message-warning
...
Make warning and info messages vararg compatible and implement "thermo_modify warn"
2021-05-10 13:41:23 -04:00
b6b70b2033
small tweak
2021-05-07 19:51:13 -04:00
c45008d803
avoid possible deadlock scenario in fix deposit and fix pour
2021-05-07 19:11:21 -04:00
