df00d2225a
Remove unused variable
2022-02-10 14:13:55 -05:00
ac815fdfba
use improved accessors for fixes
2022-01-27 22:16:43 -05:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
09c19a936b
update URLs in source code and manual
2021-05-24 14:18:20 -04:00
d8291eea7b
Merge branch 'master' into prepare-clang-format
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# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
c9470c6baf
update includes
2021-05-09 11:33:53 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
fe063b27c7
silence compiler warnings
2021-04-23 15:51:16 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -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
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
88bf503451
Merge from master
2020-04-30 08:17:05 -06:00
80311891f1
Merge pull request #1874 from akohlmey/generalize-box-change-detect
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Refactor handling of box change information from fixes
2020-04-15 11:14:45 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
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
d8ef5f6991
added internal fix dummy command to enable more control of fix ordering
2019-11-05 12:57:34 -07:00
7967cb1133
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
2019-07-03 06:16:16 -04:00
31cbccda85
continue cleaning up include file lists
2019-06-29 09:37:44 -04:00
1fc3b4618c
remove dead code and silence compiler warnings
2018-11-15 16:50:56 -05:00
3682bc47c2
move enum{NO_REMAP,X_REMAP,V_REMAP} to Domain class in domain.h
2018-05-10 00:20:10 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
daa77176ad
add restart support to fix deform. only "initial" data is restored and some consistency check performed
2017-06-10 17:28:17 -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
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
4455b66003
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-07-28 19:58:51 +00:00
a1ef01fc1a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-14 16:17:20 +00:00
dda38788f7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10300 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-23 16:13:20 +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
db8eda0253
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9913 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-05-24 18:55:24 +00:00
a6eb6e4f84
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-01-11 16:50:56 +00:00
6fa2f9ed6a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8712 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-24 13:26:32 +00:00
be1e06897b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8551 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-07 16:12:48 +00:00
66c5617afb
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-25 22:03:31 +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
2e1b7a0f0e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8037 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-05-03 14:58:24 +00:00
8e84840556
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8009 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-10 15:05:07 +00:00
fb1c3d6019
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-04-10 15:02:16 +00:00
7fb5f449e4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7686 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-03 20:03:29 +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
74ad43e245
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7632 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-01 01:19:23 +00:00
12659b418f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7611 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-30 22:53:59 +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
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
dfb085b321
Added triclinic cell keywords and tilt factor scaling options
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6432 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-06-16 16:30:04 +00:00
e453dab613
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4786 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-14 15:23:12 +00:00
422c33713b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4257 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-15 19:08:46 +00:00
5f8335283a
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4071 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-29 23:00:20 +00:00
75c51a178d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3951 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-02 16:53:40 +00:00
