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
67f6adebb7
whitespace fixup with dynamic casts
2022-09-10 13:26:38 -04:00
ad69c7d157
simplify through using utils::strdup()
2022-07-27 19:49:31 -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
39b316729b
use auto type when assigning from cast or using new
2022-04-10 18:16:36 -04:00
f641b1c659
final chunk of changes to apply utils::logical()
2021-09-23 07:30:40 -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
d2cdb318ab
apply new logmesg() overload to a bunch of cases.
2021-04-21 23:38:45 -04:00
dfb18caf5a
simplify using utils::strdup(), update order of include files
2021-03-27 16:25:55 -04:00
11866dfcb4
avoid segfault when accessing fix compute data before the fix is initialized
2021-02-08 21:20:25 -05:00
6147b9c2ef
doc page updates for energy contributions of thermostat and non-thermostat fixes
2021-01-26 08:51:47 -07:00
b5525a19bc
changes to files with THERMO_ENERGY mask in standard packages
2021-01-21 13:56:50 -07:00
51a20175c9
more code formatting consistency changes for loops and conditionals
2020-12-30 09:47:45 -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
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
134a2e8dd6
use fmtlib and utils::logmesg() in fix msst
2020-07-05 22:37:59 -04:00
5f68f3006f
replace Fix::box_change_xxx variables with Fix::box_change bitmask and add check to Domain::init()
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This allows a more specific tracking of whether multiple fixes are
modifying the same box parameter and error out in that case.
2020-02-08 15:12:26 -05:00
416911aa7e
more rearranging of include file order to put implementation headers first
2019-07-03 21:57:39 -04:00
fc1d8f2cbf
more cleanup of include file handling. starting to work on files in packages
2019-07-02 05:15:30 -04:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
934cbbbeca
restore lost KIM doc section in Section packages
2017-07-26 16:07:08 -06:00
60c67b07dc
import updated fix msst file with some additional cleanup and simplification
2017-07-26 10:45:11 -04:00
0423971205
whitespace cleanup
2017-07-06 00:24:00 -04:00
4ee7c6f5ca
remove code without effect
2017-07-06 00:23:50 -04:00
a5234d7aea
fix bug reported by richard berger via https://ci.lammps.org/job/lammps/job/master/job/regression/160/testReport/junit/examples/msst/msst/
2017-07-05 22:34:34 -04:00
4de9cec1b6
make old_velocities allocation safer while retaining the test for nlocal
2017-07-05 16:22:39 -04:00
e625e79171
safer handling of processors w/o local atoms
2017-07-05 15:04:27 -04:00
f1088a5003
changes requested by @sjplimp
2017-07-05 15:03:58 -04:00
ea4f16bd79
additional fix external hooks for calling programs
2017-07-05 10:01:19 -06:00
7cd7cda2d4
Initialize pointers in RIGID and SHOCK
2016-11-07 20:22:04 +01:00
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
cd6f885c6d
Fixing memory error
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13358 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-04-01 21:13:05 +00:00
8bee4ef596
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 21:49:36 +00:00
7b96d1c2f8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10301 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 16:13:59 +00:00
f37ae6cb74
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 19:06:37 +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
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
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
7fa074acd6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-06 18:10:05 +00:00
de59192f5e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4689 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-06 16:04:46 +00:00
4e772d1a16
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-08-21 19:46:12 +00:00
6929e8f81a
Tweaked output value of initial strain rate
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-21 16:38:52 +00:00
4ec563c51a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4283 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-17 14:27:08 +00:00
