32d0bf1bee
update all simple coeff messages
2025-02-03 12:13:52 -07:00
03bbc562ad
improve error messages for invalid hybrid sub-styles
2024-03-18 10:46:43 -04:00
9512568fd8
improve pair_coeff error message for pair styles derived from PairHybrid
2023-05-09 02:40:55 -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
b3c8f85ff9
make sure the one_coeff flag is applied to sub-styles
...
since the check for Pair::one_coeff was moved to the Input class (to
reduce redundant code), hybrid substyles could "escape" that requirement.
Thus checks have to be added to the hybrid coeff() methods.
2021-09-28 04:39:46 -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
a441c7b379
simplify hybrid coeff parsing. check for number is already done with conversion
2021-04-08 17:44:13 -04:00
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
a4a1f7e848
more IWYU cleanup
2020-09-02 23:49:17 -04:00
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
1e0cd0b202
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
2019-09-12 12:30:22 -04:00
256531a29a
put implementation header first for all remaining main folder source files
2019-07-03 19:34:13 -04:00
11708c8f96
continue cleaning up include files based on IWYU
2019-07-02 15:10:52 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
1cd4c48ccc
new SNAP potential for W
2017-02-21 15:49:21 -07:00
35753b8f08
add error location propagation to force->bounds() and force->boundsbig()
2016-10-26 15:53:02 -04:00
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
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
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
89ba8f469d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7620 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-01-31 21:20:04 +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
77f33d2968
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4290 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2010-06-17 15:13:30 +00:00
0cc1d090f4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2330 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-01-05 22:26:08 +00:00
d39a8de8ab
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1422 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-24 22:30:58 +00:00
57c7db4eb1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1320 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2008-01-05 00:07:25 +00:00
ed9ce73904
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@954 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-04 23:59:26 +00:00
10cb6b72e9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2007-10-03 16:26:20 +00:00
