|
|
8b31edb102
|
programming style updates and clang-format applied
|
2022-04-14 16:47:10 -04:00 |
|
|
|
616349c27b
|
Merge branch 'develop' into dielectric-updates
|
2022-04-12 16:33:02 -05:00 |
|
|
|
b05aadf877
|
Allowed to set the atom local dielectric values (epsilon)
|
2022-04-11 14:18:43 -05:00 |
|
|
|
8161dff58a
|
Added pair style lj/cut/coul/debye/dielectric, added conversion factor epsilon02eq for real units
|
2022-04-11 10:54:41 -05:00 |
|
|
|
200b4f13c7
|
use dynamic cast instead of c-style cast when casting from base type to derived class
|
2022-04-10 18:18:06 -04:00 |
|
|
|
dfbeedfded
|
convert more neighbor list requests to the new API
|
2022-03-08 12:39:05 -05:00 |
|
|
|
4c0192cae1
|
rename forward communication functions for pair, fix, compute, and dump
|
2022-02-21 21:15:10 -05:00 |
|
|
|
1ba77e1629
|
apply utils::logical() in more places
|
2021-09-21 14:15:02 -04:00 |
|
|
|
bca99f684f
|
update list and order of include files from include-what-you-use analysis
|
2021-09-18 14:16:48 -04:00 |
|
|
|
385220fd4b
|
format changes
|
2021-09-17 22:50:15 -04:00 |
|
|
|
9a19a814e4
|
apply clang-format to packages
|
2021-08-23 21:06:33 -04:00 |
|
|
|
c9ddee5e38
|
Merge pull request #2824 from ndtrung81/dielectric-updates
Updates to the DIELECTRIC package
|
2021-07-06 20:58:23 -04:00 |
|
|
|
a61e79ad72
|
avoid integer overflow issues reported by CodeQL
|
2021-07-03 17:38:48 -04:00 |
|
|
|
d471f13d27
|
non-portable OpenMP pragmas
|
2021-07-03 15:55:01 -04:00 |
|
|
|
878795e64a
|
bulk rename of remaining USER- packages
|
2021-06-29 20:12:59 -04:00 |
|
