09cd209c62
typo
2024-11-26 15:56:03 -07:00
c1ac0cea1d
More rheo pressure EOS, allow variable cs
2024-11-01 17:04:32 -06:00
f483a90d8a
Simplifying RHEO compute comm calls
2024-11-01 15:04:30 -06:00
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
010a4c076b
Prototyping oxidation
2024-03-28 11:31:21 -06:00
b3de75da97
Cleaning up math, fixing tension bug, patching bond creation
2024-02-23 13:26:28 -07:00
f9b385061b
Multiphase support
2023-11-14 12:33:51 -07:00
6f59b7c5e0
Fixing misc bugs with interfaces
2023-05-23 22:12:34 -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
d85ce6a392
Initial surface compute
2023-04-19 17:15:00 -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
