9f44221ee3
update neighborlist requests for new API in KSPACE package
2022-03-09 21:20:18 -05:00
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
6ff8fc093e
Extent extract method of BuckCoulLong
2021-02-28 11:20:31 +01:00
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
96d8d12a88
replace calls to force->*numeric() with the corresponding utils::*numeric()
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this also removes the now obsolete functions from Force
2020-08-29 20:31:02 -04:00
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
992b981cee
Fixes segfault due to uninitialized pointers
2020-08-27 19:02:02 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
42c31227d9
continuing to clean up include file lists
2019-07-01 15:59:16 -04:00
2f20581b29
Merge pull request #1374 from akohlmey/collected-small-fixes
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Collected small changes for the next patch release
2019-03-25 13:15:45 -04:00
b975d59d9f
make use of copymode flag in pair style destructors consistent
2019-03-22 05:15:02 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
4ec07422f0
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
2017-07-14 23:33:00 -04:00
51fc386e72
correct the inner loop range for resetting cutoffs when redefining a pair style
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this was reported by frank uhlig on lammps-users for lj/cut, but it applies to many more pair styles
2017-05-16 00:26:18 -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
d72fcf5acc
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-27 13:41:29 +00:00
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
8ff753d958
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-11-22 17:14:39 +00:00
2dbe3f80a2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:02:55 +00:00
a746d1ce48
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-03-05 00:00:50 +00:00
a259373e89
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9056 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-12 21:12:26 +00:00
9d084fc662
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9054 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-12 19:06:31 +00:00
31c2a6f05f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9038 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-08 20:58:56 +00:00
0b10887ad4
Changes to coulomb tables.
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8973 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-17 23:27:34 +00:00
e27125f93e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8908 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-05 15:21:35 +00:00
9f8c6721d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 20:11:55 +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
4f48544d41
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-12-16 21:15:49 +00:00
f90ce18f3d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-20 00:11:49 +00:00
4fb55e4972
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7019 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-30 16:58:05 +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
147842df01
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6327 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-07 18:06:14 +00:00
eb7d288360
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5896 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-05 19:10:43 +00:00
fbb475b9cd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-25 21:13:51 +00:00
e85b65f387
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5349 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-12-01 16:59:10 +00:00
8372b98a29
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-10-22 21:25:05 +00:00
eb63ce2377
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3023 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-08 20:06:53 +00:00
b2e9f7dc10
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1272 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-02 19:24:46 +00:00
8fb52958ce
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1193 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-30 21:54:30 +00:00
aef3f32236
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-04 17:57:04 +00:00
bc528eda85
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@931 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-03 16:15:35 +00:00
ff535daa9f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@638 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-06-21 18:58:43 +00:00
aaed6ebc33
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@622 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-06-20 13:17:59 +00:00
