adf74b3a22
use https://lammps.sandia.gov based URLs consistently
2020-10-21 16:45:30 -04:00
0f6a34775c
Merge branch 'master' into symbolic-atom-constants
2020-09-15 17:44:31 -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
9d0c3bc665
replace some numeric constants in Atom and AtomVec classes with enumerators
2020-09-11 19:07:55 -04:00
88ddfa4eb0
more IWYU cleanup in packages
2020-09-03 05:20:02 -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
729b3d2717
major whitespace cleanup
2020-08-19 18:46:35 -04:00
e3beec8b95
revert permission change and replace 'b/c' with 'because'
2020-08-10 11:37:52 -04:00
41904f7946
Added cautionary comments
2020-08-08 09:15:56 -06:00
d8ef5f6991
added internal fix dummy command to enable more control of fix ordering
2019-11-05 12:57:34 -07:00
c5044d6484
continuing include file handling cleanup
2019-07-10 08:49:16 -04:00
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
b37664b44e
squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells
2018-03-28 10:57:13 -04:00
99d5957a01
make default argument of virtual function Neighbor::build() explicit
2018-02-22 08:42:36 -05:00
78a486c0fd
Authorize hybrid/overlay for fix srp
2017-09-25 16:18:08 +02:00
ddc1e4e86e
detect and refuse to run pair style srp together with fix rigid
2017-04-25 13:27:20 -04:00
0a2b78acb8
rather than adjusting the communication cutoff, we just print out the minimum value needed and error out
...
i suspect, this communication cutoff adjustment was included into the code before it was possible to separately set it via comm_modify. stopping with an error message printing the needed/current value is cleaner, in keeping with other modules in LAMMPS and much less problematic.
2017-01-16 15:47:02 -05:00
5821fe8dd5
correct out-of-bounds accesses
2017-01-14 17:06:23 -05:00
f7e17e97e8
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-17 15:46:12 +00:00
a473a42a9c
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-12-09 16:59:47 +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
cee848f948
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-22 22:06:49 +00:00
9a878cdd67
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-10-21 18:29:37 +00:00
db7aa98b6e
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12938 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-14 16:22:39 +00:00
1aefa8d624
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12859 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2015-01-05 15:41:14 +00:00
fe42affff4
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12792 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-24 22:30:32 +00:00
162e8050ad
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12773 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2014-11-24 17:15:05 +00:00
