0d8f549e33
remove sphere_flag and replace with radius_flag and omega_flag as needed
2024-01-19 12:50:31 -05:00
23d4bfe198
reset eflag=0 in fix wall/region
2023-10-25 11:08:58 -06:00
27da716852
getting out of the insurance business :-)
2023-01-23 16:45:41 -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
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
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
343fe6392b
wall/region Morse potential derivative correction
...
The 1/r part due to dr/dx is added further in post_force().
2021-05-15 23:54:42 +03:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
183b30abd7
use strmatch() consistently to detect respa and verlet runstyles with optional suffix
2021-03-30 18:30:22 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
2c1b6adce3
change virial_atom to virial_peratom
2021-01-21 12:00:16 -07:00
182eb35f1a
changes to fixes that use THERMO_ENERGY
2021-01-21 11:32:11 -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
f88f4cd60e
more include file updates
2020-09-02 21:44:04 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -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
3d9e737a19
change order of morse style wall potential parameters to be consistent with pair morse and bond morse
2019-08-20 11:27:29 -04:00
915e0b30cf
Merge branch 'master' into feature-wall-region-morse
2019-08-12 23:01:01 +02:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
96744c4933
more include file cleanup
2019-06-30 15:53:17 -04:00
101948ce1e
Added a Morse potential option to 'fix wall/region'
2019-02-21 01:49:04 +01:00
e9bc939098
Fix more unused parameter warnings ( #1076 )
2018-08-23 12:22:44 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
5fb2979da7
allow dynamic groups for some standard walls interacting with point particles
2018-02-24 13:50:42 -05:00
e196a2b9e5
import changes to various fixes by aidan to include virial contributions
2017-09-11 22:24:06 -04:00
958e3e6a80
sync with Git
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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
d55f968432
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-06-17 23:48:15 +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
b2c2e38ba3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14126 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:09:53 +00:00
9d3ab0f52f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-07-06 13:53:07 +00:00
af5d91115f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11875 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 14:28:56 +00:00
94f202f4b4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11723 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-07 15:23:23 +00:00
aa33af4032
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:00:58 +00:00
ef9e700545
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-06 22:47:51 +00:00
f884a7ec85
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 16:27:41 +00:00
19e8c92a90
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-23 18:06:55 +00:00
aedbb28b6c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-30 20:10:18 +00:00
f62b317d37
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-20 16:42:39 +00:00
819524ebd6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5932 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-13 21:40:14 +00:00
b10f00788e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5817 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-23 14:25:39 +00:00
5e200777de
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-21 18:22:32 +00:00
707def2888
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5644 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-02-15 18:52:34 +00:00
79b7bdd791
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-23 15:36:56 +00:00
5ff00cfd0f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4505 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-19 16:01:08 +00:00
d9310d7e56
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3645 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-11 21:15:28 +00:00
322ed02798
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3642 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-11 20:25:07 +00:00
e3c029753d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3633 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-08 22:54:13 +00:00
