ad855ad7ea
remove unused constants
2024-02-05 20:26:23 -05:00
12422ff510
replace defines with static constexpr declarations
2024-01-21 15:53:35 -05:00
53056f47ed
encode improper symmetries
2023-03-09 22:04:08 -05:00
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
bca99f684f
update list and order of include files from include-what-you-use analysis
2021-09-18 14:16:48 -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
...
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
2021-05-11 21:49:48 -04:00
d1941392d3
disable clang-format for all existing .cpp files (for now)
2021-05-05 23:53:38 -04:00
7f034b2ef7
replace replicated Dihedral/Improper problem warning with function in base class
2021-05-05 16:54:40 -04:00
1f23fd4829
convert back to degrees when writing class 2 impropers
2021-01-11 15:39:12 -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
...
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
b1d4ca2b03
simplify class2 dihedral and improper
2020-06-29 01:09:43 -04:00
fe20490891
more use of utils::sfread()
2019-10-17 17:06:12 -04:00
a00d38572e
clean up includes in packages CLASS2, COLLOID, COMPRESS, and CORESHELL
2019-07-06 06:29:22 -04:00
5b3a15bd94
putting implementation header first in package folder sources
2019-07-03 19:58:25 -04:00
c7af948dfc
use ev_init for impropers
2019-03-13 17:50:50 +01:00
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
5f93fad012
Add copymode protection to class2 styles
2017-02-15 13:56:16 -07:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
ef079ae4eb
bugfix for AngleAngle term in CLASS2 impropers by Ivan A. Strelnikov, ICP RAS
...
this closes #56
2016-10-10 23:56:36 -04:00
e4ea9c0658
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-02-17 15:56:48 +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
bad19033d0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-01-17 18:43:09 +00:00
c102c621e3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10277 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-07-22 22:54:22 +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
e8ff810ee7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-25 16:42:20 +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
2e686fb6ca
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7859 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-02-28 19:59:30 +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
db6ccaf6f3
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6238 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-05-27 23:43:15 +00:00
1f2a7add78
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-03-26 00:50:29 +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
9b00fc4b99
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5548 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-14 16:04:55 +00:00
82ec94916d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-01-11 00:41:00 +00:00
460379ce20
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-11-17 18:25:24 +00:00
b015f75194
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4745 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-09-08 23:41:16 +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
6a2c263dac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1445 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-31 18:19:12 +00:00
b2ed4d133f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1443 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-31 18:10:50 +00:00
985dad5579
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1267 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-12-19 17:20:01 +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
e125851489
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@366 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-03-08 00:49:37 +00:00
