eff03f1493
reformat and use std::numeric_limits<double>::min() instead of DBL_MIN (Posix-only)
2021-07-10 23:40:30 -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
0b73ab96d2
avoid replicated code, consolidate variables and element mapping
2021-03-27 12:09:36 -04:00
151110f07f
refactor constant vs define in edip pair styles
2020-12-18 22:55:15 -05:00
0876684780
energy/virial flags with CENTROID enum
2020-11-18 12:17:14 -07:00
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
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
4396dbd9a3
move Force::open_potential() to utils::open_potential()
2020-08-29 22:37:14 -04:00
dff8a50a46
fix memory leak in pair style edip
2020-08-11 20:14:39 -04:00
e42342ff51
zero out additionally allocated struct Param storage
2020-07-11 13:18:04 -04:00
4a2d3e95cb
Replace Atom::count_words with utils::count_words
2020-05-20 15:53:19 -04:00
956d21ec0e
update include lists in packages USER-MISC, USER-MOFF, USER-PTM, and USER-SMD
2019-07-10 15:51:57 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
9c27548a5c
more replacing of sprintf() with snprintf()
2018-09-06 10:45:48 -04:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
5daf1fe0d4
remove deprecated 'register' keyword. closes #922
2018-05-18 17:43:18 -04:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
59dbb49cf9
remove trailing whitespace
2018-03-16 12:37:27 -04:00
35e92733e9
import multi-element compatible pair style edip as edip/multi
2017-05-16 17:40:59 -04:00
3a054d1a82
Fix more typos in src files
2017-03-07 00:55:01 -05:00
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
49051197a9
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14494 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-25 23:04:56 +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
4a975dd8cf
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-19 23:49:20 +00:00
8bee4ef596
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-05-02 21:49:36 +00:00
0de9e4252b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-04-04 16:40:17 +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
737e5e6c3d
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-28 16:55:37 +00:00
b92fa00337
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2013-06-27 20:15:36 +00:00
790aba9282
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9101 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-11-26 16:04:22 +00:00
a0909204ee
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8842 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-10-02 14:10:47 +00:00
7ebff3faf6
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8700 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-08-23 13:08:54 +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
9377bfd64b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8205 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2012-06-01 17:13:46 +00:00
f9847d8111
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7191 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-10-25 15:30:15 +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
d72cecf133
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6976 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2011-09-15 15:35:26 +00:00
