187a35d7b2
convert a few more defines to static constexpr
2024-02-05 23:57:41 -05:00
dc9140dfa8
modernize
2023-10-27 03:19:11 -04:00
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
ff10b2bc26
modernize accessors and error handling in fixes box/relax and spring/chunk
2022-09-02 05:42:35 -04:00
41a3eccd1c
apply utils::logical() to more commands
2021-09-21 07:48:50 -04:00
385220fd4b
format changes
2021-09-17 22:50:15 -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
b32570c15e
simplify by using utils::strdup() and reorder includes
2021-03-28 22:22:13 -04:00
a5563e8d04
simplify using utils::strdup()
2021-03-18 20:56:04 -04:00
95a4ac157b
update a few more comments
2021-02-10 14:27:17 -05:00
6f66f5b23b
Add non-numeric pressure check to fix box/relax
2020-10-27 13:55:50 -06:00
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
41d62b8b8b
update temp and press compute creation in temperature and similar fixes
2020-06-26 16:02:14 -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
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
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -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
eeb3c26ddd
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11619 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 16:04:02 +00:00
5e1d34a23d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-03-10 15:56:49 +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
e86cb77378
Updated error message in fix nvt/npt/nph
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-03 23:19:41 +00:00
c89a12ff71
Added tilt factor scaling and fixed-point features to fix box/relax
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8472 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-07-03 22:50:34 +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
6a544be9cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 19:52:12 +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
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
8f02ff3b29
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4690 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-06 16:19:47 +00:00
fa6988038c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4258 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-15 19:25:42 +00:00
b3132ab259
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-02 15:41:31 +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
e2840e300d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4051 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-27 15:38:10 +00:00
20cfa91d13
Final changes to fix_box_relax and fix_nh
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3961 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-07 18:34:00 +00:00
554b0583d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3956 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-04-02 17:40:34 +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
4663686781
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3685 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-01-14 21:11:58 +00:00
d3302c4cee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3199 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-09-29 14:10:33 +00:00
aa0243567e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-18 17:56:26 +00:00
33ff40dd7e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3074 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-08-14 20:54:10 +00:00
15807776c8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2965 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-07-02 19:47:06 +00:00
