8521ff0587
Simplifying logic for shifting two types
2024-11-11 15:20:54 -07:00
c0edafc0cf
Reorganizing optional subargs for fix rheo
2024-11-11 11:31:16 -07:00
009a976ae2
Adding multitype correction to rheo vshfit
2024-11-09 21:47:38 -07:00
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
8d25c510c1
Draft examples, patches, clarify interface reconstruct in RHEO
2024-05-19 11:22:52 -06:00
7ea0dc3996
Adding more oxidation features + doc pages
2024-03-29 19:00:14 -06:00
08d2dd2699
Prototyping latent heat, other misc fixes
2023-12-22 10:46:44 -07:00
73a3ae7602
Debugging some compute property items, allow surface shifting inward
2023-11-08 15:57:42 -07:00
c922fcef5a
prototyping limit on tension
2023-11-08 14:30:37 -07:00
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
be568d257d
Adding output option for reorganized peratom values
2023-04-25 16:29:29 -06:00
47b8cdc94f
Fixing compilation errors
2023-04-24 19:46:27 -06:00
a4d971df52
Updating surface compute
2023-04-20 14:45:35 -06:00
5980fdf9fd
Revising interface compute
2023-04-15 21:15:37 -06:00
986cfd6641
Cleaning up peratom variables, adding peratom variables to fix rheo/interface
2023-04-12 17:05:05 -06:00
79ddd1445f
Misc clean ups, initial draft of interface
2023-03-26 17:04:56 -06:00
6e65d13ad3
Adding vshift + pressure, various fixes
2023-02-26 21:13:32 -07:00
