27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -05:00
82c2b35423
improve error messages for dynamic groups
2022-12-28 07:11:13 -05:00
2132b1d904
update developer reference text
2022-10-24 11:08:26 -04:00
cccf3f6f78
change email for contacting LAMMPS developers, add to homepage checker
2022-10-20 20:36:03 -04:00
26ca371d93
Merge branch 'develop' into region-lookup-refactor
2022-04-22 23:47:49 -04:00
a90c632ae2
fix bug when no other post_force fixes are defined
2022-04-22 17:10:56 -06:00
0ece11c491
add a code comment
2022-04-21 15:19:04 -06:00
8cb47c8504
change update of dynamic groups to post_force location in timestep
2022-04-21 15:02:47 -06:00
69d9c5187e
refactor group access, enable and apply clang-format
2022-04-15 15:29:43 -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
72679f6127
Merge branch 'master' into collected-small-changes
2021-08-23 21:44:21 -04:00
1a81a94dfb
fix up whitespace issues (remove tabs, trailing whitespace)
2021-08-20 15:00:19 -04:00
8735555e00
1 liner fix for PR #2342
2021-08-20 14:17:05 -04:00
e08c4abb4b
whitespace fixes
2021-08-18 13:06:00 -04:00
e6af1eecb8
resolved merge conflicts with master
2021-08-17 11:55:33 -06:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
0b14770468
merge with current master
2021-01-11 16:13:33 -07:00
adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
f1ef7d85a8
T2345: Replace instances of NULL with nullptr
...
The following changes have been applied to src and lib folders:
regex replace: ([^"_])NULL ⇒ \1nullptr (8968 chgs in src, 1153 in lib)
Manually find/change: (void \*) nullptr ⇒ nullptr (1 case)
regex find: ".*?nullptr.*?"
Manually ~14 cases back to "NULL" in src, ~2 in lib
regex finds a few false positive where nullptr appears between two
strings in a function call
2020-09-12 09:34:38 -06:00
d1442b0538
enable per-atom custom arrays in addition to vectors
2020-09-04 11:33:49 -06:00
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
...
this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
4ec05a3389
remove some more trailing whitespace
2018-12-01 08:14:02 -05:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
9202896e75
bug fix for compute cluster/atom when computing values used to update a dynamic group
2018-08-08 09:31:16 -06:00
d27215b7e1
enable more correct natoms computation when atoms are lost
2018-08-07 15:05:07 -06:00
74fbb84b8c
Merge pull request #878 from jrgissing/group_extract
...
Group extract
2018-05-07 11:45:37 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
c4373c7afa
add extract to fix_group
...
this will allow users to define groups that are by default created internally by fixes, etc.
2018-04-24 22:53:54 -06:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
13c08225ed
per-atom property dynamic group
2018-01-23 00:16:51 -07:00
f6c77c3aba
support dynamic groups with run style respa
...
(cherry picked from commit b7baa1680d
2016-09-29 15:13:46 -04:00
958e3e6a80
sync with Git
...
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-08-29 23:49:20 +00:00
354e20f431
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-30 20:04:06 +00:00
cd130bc9ee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13334 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-31 14:50:15 +00:00
d3d9748dee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-23 18:37:20 +00:00
9302646a0d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11495 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-02-06 16:21:01 +00:00
