f483a90d8a
Simplifying RHEO compute comm calls
2024-11-01 15:04:30 -06:00
9e25c8610c
Merge branch 'develop' into rheo
2024-10-30 08:24:54 -06:00
e3768f9ab0
Limiting coordination calculation in RHEO
2024-10-01 10:01:12 -06:00
abb8b5ae45
reorder to avoid overflows
2024-09-22 00:11:03 -04:00
80fefbb3f8
Various small cleanups to RHEO package flagged by compiler warnings
...
The individual changes are:
- remove of unused function parameters
- replace non-standard variable length arrays on the stack with static ones
- disable citation removed from the manual
- replace #defined constants with enum or static constexpr
- enable and apply clang-format
2024-08-18 13:01:31 -04:00
5016a0848f
make compatible with per-type and per-atom masses
2024-07-30 16:16:05 -04:00
1254d579f7
reduce compiler warnings, remove dead code, follow LAMMPS conventions more closely
2024-07-30 16:13:06 -04:00
a9a896c677
Small doc changes, renaming status variable
2024-07-15 17:19:51 -06:00
4b8f961098
Updating headers
2024-07-02 14:00:37 -06:00
1326592f23
Proofing RHEO package
2024-06-28 17:07:23 -06:00
8d25c510c1
Draft examples, patches, clarify interface reconstruct in RHEO
2024-05-19 11:22:52 -06:00
f9b385061b
Multiphase support
2023-11-14 12:33:51 -07:00
b8b2141993
Fixing errors in oxide model
2023-11-07 14:47:46 -07:00
bf115e5df4
Fix compiler/memory errors in tension, update properties in surface
2023-11-01 11:55:07 -06:00
71abebb1d7
debugging surface compute
2023-07-16 16:26:57 -06:00
4ae41edee7
Fixing order of correct_v
2023-06-23 14:12:59 -06:00
dfc47a5501
Fixing various errors, reorganizing status variable
2023-05-12 23:33:02 -06:00
47b8cdc94f
Fixing compilation errors
2023-04-24 19:46:27 -06:00
de0e4bb170
Rho sum compute
2023-04-20 16:17:04 -06:00
a4d971df52
Updating surface compute
2023-04-20 14:45:35 -06:00
d85ce6a392
Initial surface compute
2023-04-19 17:15:00 -06:00
