1b58a4695b
add explanations for "before/after simulation box is defined" errors
2025-03-21 20:30:47 -04:00
c19db76eae
delete_bonds: direct type label support
2024-05-11 14:05:48 -04:00
b47ad7acf4
Revert "make delete_bonds command code compatible with BPM package not being installed"
...
This reverts commit 715b030bd6
2024-01-17 15:46:03 -05:00
a131b90962
make delete_bonds command code compatible with BPM package not being installed
2024-01-12 16:19:11 -05:00
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
ef4e41d2a2
programming style and format updates
2022-04-12 22:52:07 -04:00
744e615dbb
Revamping public methods for history, adding support for bond react
2021-12-13 17:35:53 -07:00
f3eac179e6
Expanding broken bonds documentation, adding support for more create/delete bond commands, misc small edits
2021-12-06 17:27:25 -07:00
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
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
b53822da46
provide Command base class in command.h for deriving command styles from
2021-04-13 17:47:00 -04:00
8c4918457f
consistently compare atom->molecular against enumerator constants
2021-03-14 01:25:22 -05:00
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
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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
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
729cc81f31
make more use of utils::logmesg()
2020-07-31 22:16:06 -04:00
fc216edf10
simplify create/delete_atoms/bonds
2020-06-03 22:36:51 -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
557a1274e4
even more include file cleanup
2019-06-28 07:09:57 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
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
58f6f56953
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-19 18:24:06 +00:00
00834f6d84
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-02-19 18:23:31 +00:00
80b02160f1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12349 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:47:19 +00:00
4ea728dc80
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-25 16:01:17 +00:00
0f6eb0877e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-14 16:30:03 +00:00
2cff5bfbad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12301 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-08-12 14:44:07 +00:00
f461504c93
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-18 15:25:28 +00:00
0ce16af78b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-25 22:46:08 +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
28cd1e1af6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9534 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-02-19 16:13:19 +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
c2777b94c2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7851 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 17:41:29 +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
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2011-06-30 20:10:18 +00:00
d5b494397e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-14 15:53:06 +00:00
140cdf9485
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2011-01-07 21:42:19 +00:00
01db59bea3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-06 23:23:37 +00:00
73cdc24a5f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5485 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-05 16:33:24 +00:00
55e8b2bee6
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2011-01-05 00:29:35 +00:00
3333f6a924
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2011-01-04 20:07:43 +00:00
124653f929
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2010-08-03 23:39:28 +00:00
0cc1d090f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-05 22:26:08 +00:00
9e1f8bcd6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@371 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-03-08 00:54:02 +00:00
209f169cbc
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2007-01-30 00:22:05 +00:00
