Commit Graph

28898 Commits

Author SHA1 Message Date
ef2969dfbf use override keyword in plugin sources 2022-01-22 10:30:58 -05:00
79a9829e92 Apply override to remaining classes 2022-01-22 09:56:01 -05:00
12d708b97c Apply override to more classes 2022-01-21 18:24:06 -05:00
44bc766060 Apply override to more classes 2022-01-21 16:58:32 -05:00
06beb28d7d Apply override to Pair classes 2022-01-21 16:13:49 -05:00
ff3f762499 Apply override to Fix classes 2022-01-21 14:45:53 -05:00
f83271aa40 Apply override to Compute classes 2022-01-21 13:23:36 -05:00
0d4bbf60e6 Apply override to Dihedral classes 2022-01-21 12:48:11 -05:00
557e25d6fb Apply override to Bond classes 2022-01-20 18:00:16 -05:00
4e89488f27 Apply override to Angle classes 2022-01-20 17:53:38 -05:00
d4ec931991 Apply override to FileReader classes 2022-01-20 17:49:23 -05:00
7387643b87 Apply override to Improper classes 2022-01-20 17:36:43 -05:00
5e37f9d5a7 Apply override to KSpace classes 2022-01-20 17:14:33 -05:00
586cf6c3bf Apply override to Dump classes 2022-01-20 16:58:23 -05:00
7c9b0c1e8e Apply override to more core classes 2022-01-20 16:43:04 -05:00
5c62dc0986 Apply override to Comm classes 2022-01-20 16:39:36 -05:00
c9776dad6f Apply override to Command classes 2022-01-20 16:35:59 -05:00
06cb86dfb9 Apply override to NTopo classes 2022-01-20 15:53:01 -05:00
7aaa85c3a1 Apply override to NBin classes 2022-01-20 15:44:16 -05:00
32a19d982a Apply override to NStencil classes 2022-01-20 15:37:15 -05:00
222ea31d8d Remove override = default destructor lines 2022-01-20 15:28:47 -05:00
7ee3171d16 Apply override to NPair classes 2022-01-19 21:51:21 -05:00
b45a6d7720 Apply override to AtomVec classes 2022-01-19 17:31:41 -05:00
9d8394fe63 Apply override to text_file_reader.h 2022-01-19 14:45:32 -05:00
c166549c74 Apply override to KOKKOS classes up to this point 2022-01-19 14:26:25 -05:00
b8d4030983 Update more core class destructors 2022-01-19 13:27:08 -05:00
e283bfa1fa Apply override to Minimize classes 2022-01-19 13:23:28 -05:00
0099d2584b Apply override to Integrator classes 2022-01-18 15:17:04 -05:00
778879a0eb Apply override to Body classes 2022-01-18 14:56:44 -05:00
1792b3b0cf Apply override to Reader classes 2022-01-18 14:39:31 -05:00
d19f799585 Apply override to Region classes 2022-01-18 14:31:29 -05:00
576f2266ae Mark virtual destructors in derived as override
Following C++ Core Guideline C.128
2022-01-18 14:28:25 -05:00
e1d028ec88 Merge pull request #3087 from akohlmey/pair-harmonic
Add new pair styles harmonic/cut for repulsive-only harmonic interaction
2022-01-17 18:53:35 -05:00
5530927bd4 Merge pull request #3088 from stanmoore1/kk_hip_fixes
Fix Kokkos HIP compile issues
2022-01-17 18:07:29 -05:00
af231d5447 Fix comments in Makefiles 2022-01-17 08:54:17 -07:00
8b89be6061 Kokkos SNAP tuning for HIP 2022-01-17 08:49:00 -07:00
a93e5baa73 Add Kokkos HIP Makefiles 2022-01-17 08:44:49 -07:00
cb796e8b60 Fix HIP compile issues 2022-01-17 08:21:52 -07:00
1e7969c7b9 add new pair styles harmonic/cut and harmonic/cut/omp 2022-01-15 19:34:47 -05:00
878557dd48 Merge pull request #3079 from akohlmey/next_patch_release
Step version strings for the next patch release
patch_7Jan2022
2022-01-07 11:31:23 -05:00
e3dd2908d9 Step version strings for the next patch release 2022-01-06 19:42:45 -05:00
b300a93b67 Merge pull request #3073 from akohlmey/fmtlib-8.1-update
Update included fmtlib to version 8.1.1
2022-01-06 19:40:00 -05:00
1f924e9fc1 Merge pull request #3071 from akohlmey/collected-small-changes
Collected small changes and bug fixes
2022-01-06 19:22:30 -05:00
9c9bc4790b update to fmtlib-8.1.1 2022-01-06 18:31:15 -05:00
8e0622d523 Merge pull request #3046 from donatas-surblys/centroid-stress-constraint-rigid
Centroid atomic stress for shake, rattle and rigid/small
2022-01-05 12:36:27 -05:00
3ff2f53ead add citations to centroid/stress/atom 2022-01-05 18:45:35 +09:00
e5416a9fee update documentation for new centroid stress for shake and rigid/small 2022-01-05 19:02:25 +09:00
4aba9e9bb6 cosmetic and whitespace changes 2022-01-04 23:08:32 -05:00
40abc0886c adjust for double precision floating point 2022-01-04 23:02:17 -05:00
d0f203127d create missing de,df table elements from linear extrapolation 2022-01-04 23:01:38 -05:00