Commit Graph

52 Commits

Author SHA1 Message Date
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
59837dd44b improve error messages in run and variable.cpp 2022-08-25 11:09:21 +08:00
f80259dfae some applications of the new function 2021-09-19 19:05:40 -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
33556e3745 Remove unused defines 2021-04-20 11:44:39 -04:00
b53822da46 provide Command base class in command.h for deriving command styles from 2021-04-13 17:47:00 -04:00
183b30abd7 use strmatch() consistently to detect respa and verlet runstyles with optional suffix 2021-03-30 18:30:22 -04:00
2f8770971c make use of utils::strdup() and simplify 2021-03-16 01:17:10 -04:00
adf74b3a22 use https://lammps.sandia.gov based URLs consistently 2020-10-21 16:45:30 -04:00
1597cd5dcb T2345: After examining comments changed by batch conversion of NULL
to nullptr, I've corrected a small number where it seemed clear
that the previous NULL should have been either "NULL" (where the
code is looking for a string with that value),  or null char / null byte
(where the comment is talking about the char/byte that terminates
a c-style string).

Also changed 6 places where the batch change had changed 'NULL ptr'
to 'nullptr ptr'. Now they simply say 'nullptr'.
2020-09-12 09:34:39 -06:00
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
c7c4297cfc update include handling for commands 2020-09-03 00:51:58 -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
ce6fa0118a continuing to clean up include file lists 2019-07-04 08:39:17 -04:00
256531a29a put implementation header first for all remaining main folder source files 2019-07-03 19:34:13 -04:00
e4071d7f46 replace C-style include files with their C++ equivalents 2018-04-27 18:00:24 -04:00
cf3887c5e0 default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
argument for Integrate::setup() made explicit
2018-02-22 07:53:58 -05:00
f6a819580c pair TIP4P bug fix for cutoffs >> box size 2017-01-06 09:57:27 -07:00
d55f968432 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2016-06-17 23:48:15 +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
047be536bc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13983 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-09-02 20:39:55 +00:00
ce59e32d1c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13937 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-08-28 20:00:56 +00:00
e59417b0f7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12979 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2015-01-20 23:25:40 +00:00
bd537e077e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11676 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2014-04-01 22:21:39 +00:00
b0007d45b7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10199 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-06-29 21:27:42 +00:00
7a2e00bbf1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8242 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-08 16:00:32 +00:00
a1209775b4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8228 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-06-06 23:56:25 +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
3450c008aa git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:29:18 +00:00
52568d2738 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7849 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2012-02-28 17:19:20 +00:00
16a2afc642 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-12-08 17:56:37 +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
d51c47d9ab git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5705 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-02-22 22:09:18 +00:00
60b4b9eaa7 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5526 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2011-01-11 16:27:24 +00:00
7a5cf1480a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4188 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-05-21 20:05:47 +00:00
46a7dc9db8 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3734 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-20 15:12:36 +00:00
fae7fd7621 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3730 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-19 17:56:46 +00:00
c01b4e016c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3117 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-21 19:05:42 +00:00
a1e6b4fcdd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3089 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-08-18 17:54:45 +00:00
e0665d834a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2693 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-03-20 15:01:17 +00:00
25baa261e9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2364 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-01-09 21:31:31 +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
db10083b17 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1250 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-12-13 15:00:28 +00:00
6de4e59a38 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1119 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-11-02 20:25:11 +00:00
67fcb1a3bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@684 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-06-27 16:45:46 +00:00
8d2d6b68a3 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@510 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-04-20 22:53:15 +00:00
209f169cbc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-01-30 00:22:05 +00:00