081b322ecd
use the correct way to look up a neighbor list request
2021-04-27 09:51:53 -04:00
0b73ab96d2
avoid replicated code, consolidate variables and element mapping
2021-03-27 12:09:36 -04:00
382ade15fe
more consistent formatting of for/while loops and if statements
2020-12-30 09:09:08 -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
27203304d6
USER-INTEL include handling cleanup
2020-09-03 09:47:48 -04:00
6113169a47
IWYU based include statement cleanup
2020-09-02 17:39:34 -04:00
4778887243
fix memory leak in pair style sw/intel for good
2020-07-11 13:17:10 -04:00
510d5277c1
fix typo
2020-07-11 13:16:58 -04:00
b49f0a6a09
avoid memory leak in pair style sw/intel
2020-07-11 13:16:36 -04:00
61483da58b
error out when per-atom stress is requested
2019-03-28 12:25:40 -04:00
06a57dd659
use ev_unset for all pair styles
2019-03-13 17:49:16 +01:00
c37deebffa
Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.
2018-10-11 05:12:00 -07:00
92a4dc25b1
Fix unused params in packages ( #1076 )
2018-08-24 10:42:08 -06:00
2fe0eabc09
Intel Package: Bug fix when using LRT with minimize. Bug fix for virial calculation when using GNU compilers. Most of framework for adding hybrid support is now in place.
2018-06-22 01:52:55 -07:00
e4071d7f46
replace C-style include files with their C++ equivalents
2018-04-27 18:00:24 -04:00
ee862d8bf5
replace leading tabs
2018-03-16 12:34:33 -04:00
1d4d2155a2
USER-INTEL add-ons from Mike
2017-08-15 17:12:07 -06:00
3c329d1707
massive whitespace cleanup in USER-INTEL
...
removed are:
- DOS/Windows text format carriage return characters (^M)
- tabs replaced with spaces (tabs are evil!!)
- trailing whitespace
2017-06-19 13:23:01 -04:00
9b9f6d6fe2
USER-INTEL upgrade from M Brown
2017-06-16 16:56:28 -06:00
9b2d5ff3e7
remove executable permissions on non-executables and non-scripts
2016-09-08 14:45:07 -04:00
6b0a181fac
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-04-22 15:44:13 +00:00
db9fe7ac9f
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14499 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2016-01-26 15:11:58 +00:00
72ebb1dd9b
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14386 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-19 18:30:53 +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
448b9f66f0
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-09-24 20:18:19 +00:00
1403acd501
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13173 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-03-04 21:46:10 +00:00
