369b8365bf
update QEQ, ASPHERE, and KIM packages to use new neighbor list request API
2022-03-08 05:16:55 -05:00
6ccdeafa78
reformat with clang-format
2021-08-17 10:22:42 -04:00
42fadf55cf
fix typos
2021-08-17 10:05:58 -04:00
f08c249d40
don't hide parameter with local variable
2021-08-13 06:23:46 -04:00
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
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
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
fcd0b9f78f
move Force::bounds() and Force::boundsbig() to utils.
2020-08-29 18:23:03 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
03418be645
minor tweaks to already processed files
2019-07-08 16:22:55 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -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
...
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
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -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
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
0916861315
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-11 14:46:49 +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
4f2bdac177
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9271 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-14 15:59:49 +00:00
48b22abf0b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-06 22:23:35 +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
1217612ab6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-13 15:33:29 +00:00
c6bbdcfbf2
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-24 20:28:02 +00:00
15203cb792
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7039 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-06 17:55:48 +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
bce09af7a3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6077 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-05 16:46:57 +00:00
b482468fb1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5981 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-19 22:19:47 +00:00
105ebaac24
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-19 20:57:30 +00:00
fb1e5c2389
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5974 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-19 00:09:41 +00:00
2f7aaf73f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5972 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-18 22:16:24 +00:00
8ff0659bae
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5947 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-04-15 22:25:19 +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
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
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
2d5a69385a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2902 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-26 18:23:16 +00:00
eccb3ec8db
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2539 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-27 15:33:31 +00:00
98fc490061
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2042 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-08-08 14:41:33 +00:00
50ed11cfa9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1224 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-12-07 00:11:14 +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
51f78e769b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1184 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-11-28 14:56:34 +00:00
7f2c643662
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1081 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-22 21:26:47 +00:00
