Commit Graph

41083 Commits

Author SHA1 Message Date
8aba26bd71 doc fixes 2024-11-26 15:55:08 -07:00
e4683c3134 typo in equation 2024-11-22 14:40:45 -07:00
10c429fe21 Separating background pressure from EoS definition 2024-11-22 14:37:47 -07:00
cb5bad7ece Dropping obsolete keyword 2024-11-11 21:22:48 -07:00
33128323d8 Adding shift example to rheo doc, clarifying speed of sound exception 2024-11-11 16:31:09 -07:00
9e0047ff06 Documenting new multi-type shifting options 2024-11-11 15:50:01 -07:00
8521ff0587 Simplifying logic for shifting two types 2024-11-11 15:20:54 -07:00
0e90de7d95 Updaing rheo citeme 2024-11-11 11:52:21 -07:00
15767903b2 testing new argument description for fix rheo 2024-11-11 11:51:59 -07:00
59af94b8e3 Updating rheo citation information 2024-11-11 11:42:50 -07:00
c0edafc0cf Reorganizing optional subargs for fix rheo 2024-11-11 11:31:16 -07:00
bd9bcb3bf7 adding missing rheo coordination flag 2024-11-10 14:27:22 -07:00
009a976ae2 Adding multitype correction to rheo vshfit 2024-11-09 21:47:38 -07:00
a93a930f2f Updating developer comm doc page to include bond and optional args 2024-11-05 15:53:48 -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
14041bb20c Missing argument 2024-10-31 15:56:45 -06:00
a15a315341 Missing variable declaration 2024-10-31 15:38:54 -06:00
df882a9552 Adding optional size arg for forward/reverse comm methods to Kokkos 2024-10-31 15:27:22 -06:00
3fd4f9b7f3 Minor clean ups to BPM bonds 2024-10-30 08:56:07 -06:00
9e25c8610c Merge branch 'develop' into rheo 2024-10-30 08:24:54 -06:00
e1f14e1ee8 unifying comm for/rev method args 2024-10-30 08:02:35 -06:00
47e9a7fe79 Typo + style changes in rheo doc 2024-10-29 21:03:47 -06:00
6d634dc646 Merge pull request #4359 from jtclemm/BPM
Adding new force options to BPM package
2024-10-29 21:31:03 -04:00
ef1148dfa0 remove write_data support from BPM bond styles again and consolidate names 2024-10-27 22:06:56 -04:00
6d0e633edf Merge pull request #4352 from ndtrung81/regression-test-update
Add a KOKKOS workflow for GitHub actions and minor updates for the regression tester
2024-10-25 11:06:33 -04:00
f09a9c1c2a fix typo in cmake command 2024-10-24 10:26:18 -05:00
25eaf38cee use the kokkos-openmp preset for brevity 2024-10-24 10:18:59 -05:00
3041443e5f Merge pull request #4357 from akohlmey/collected-small-changes
Collected small changes and fixes
2024-10-23 23:25:26 -04:00
73c049459b spelling 2024-10-23 21:10:34 -04:00
fdd2fc4f5d move error check to Compute::init() so they cannot be bypassed by input commands 2024-10-23 21:08:07 -04:00
b682f52d11 fix typos 2024-10-23 21:07:39 -04:00
f207a571f3 allow fix DUMMY to be added without a box 2024-10-23 21:00:33 -04:00
3bac6d7cde Adding bpm pair write data method, blocking unreadable vol atom property in bond 2024-10-23 11:56:07 -06:00
b810053d02 document restrictions for bonded interactions 2024-10-23 12:35:50 -04:00
ab961a006e Merge remote-tracking branch 'github/develop' into collected-small-changes 2024-10-23 12:25:22 -04:00
558b1c5197 apply clang-format, fix other minor formatting issues, use error->one() 2024-10-23 12:10:28 -04:00
077c77f402 contributions from bonded interactions is broken when running in parallel
see https://matsci.org/t/missing-bond-contributions-from-compute-stress-mop/58455
for details.
2024-10-23 12:09:35 -04:00
d2b1e22b4a added counter for timeout tests 2024-10-22 23:31:22 -05:00
06207fd91e modify how execute() returns 2024-10-22 23:21:37 -05:00
8e81ac8c42 Merge branch 'develop' into BPM 2024-10-22 22:21:57 -04:00
bef64fd602 use consistent fix id and create bond history fix only when required 2024-10-22 22:21:28 -04:00
53b1ba6131 rename id_fix to id_fix_prop_bond for consistency, fix bug when deleting/replacing fixes 2024-10-22 21:56:19 -04:00
e2214fc4d6 Merge branch 'develop' into regression-test-update 2024-10-22 21:10:22 -04:00
e214f60d4f Merge pull request #4358 from junghans/cmake_voro_rename
cmake: voro target to upstream name
2024-10-22 21:07:28 -04:00
81f71716ba Merge branch 'develop' into BPM 2024-10-22 20:59:12 -04:00
a5599f2b75 implement write_data(), delete created internal fix in destructor, formatting 2024-10-22 20:59:00 -04:00
83db9b8fe6 small cleanup and modernization 2024-10-22 10:25:22 -04:00
ec5dfcd0fb remove note that was obsoleted 5 years ago 2024-10-22 09:50:30 -04:00
1678e2af28 adjusting howto text to reflect additional BPM/spring options. 2024-10-21 21:21:15 -06:00