fd348f3a81
added bending buckling angle style cpp file
2022-04-12 15:28:32 +01:00
36272b3267
added buckling angle_style header file
2022-04-11 11:01:56 +01:00
add992d0dc
added viscous damping addition to mesocnt pair_style
2022-04-11 11:01:15 +01:00
fe502c71d3
moved contents of compute to mesolj function for future modularity
2022-04-08 16:53:12 +01:00
8d04b0f9ac
added torque correction from chain end
2022-04-08 10:40:08 +01:00
6f53663b63
inline spline functions + weight for performance
2022-04-08 10:17:30 +01:00
e1ed62f8bb
added end types to pair_style arguments to find segment - chain end interactions
2022-04-08 10:12:38 +01:00
cc2b888f1d
reduced quadrature points for end interactions to 10
2022-04-08 09:56:08 +01:00
eb69bd20b1
made rhomin a global macro
2022-04-08 09:54:22 +01:00
b92d117524
Merge pull request #3191 from akohlmey/collected-small-changes
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Collected small changes and fixes
2022-03-29 14:45:18 -04:00
385b7a77e6
Merge pull request #3193 from samueljmcameron/stable_fix_brownian_update
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BROWNIAN package update
2022-03-29 13:03:11 -04:00
2a35ec2d85
Merge pull request #3187 from stanmoore1/kk_opt_neighlist
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Optimize Kokkos neigh list for GPUs
2022-03-29 12:05:34 -04:00
d9880273e3
fix typo
2022-03-29 11:54:34 -04:00
b8c7a6153d
whitespace
2022-03-29 09:49:48 -04:00
bfe361c576
fix doc building issues
2022-03-29 09:47:44 -04:00
5ea526728e
Merge branch 'develop' into stable_fix_brownian_update
2022-03-29 08:26:11 -04:00
88ff2db715
cosmetic updates, print warnings only on MPI rank 0
2022-03-29 08:23:18 -04:00
6f1fac1c59
Updated docs.
2022-03-29 12:21:09 +01:00
c28504961d
remove references to the mailing list in the manual and replace with forum link, if needed
2022-03-29 07:01:00 -04:00
dcd6bea172
one final fix in constructor of asphere.
2022-03-29 11:22:21 +01:00
27d2fab951
simplify processing for "*" in filenames for embedding timestep by using utility function
2022-03-29 06:06:48 -04:00
da61b6871a
Added in check for ellipsoid in brownian_asphere
2022-03-29 10:46:05 +01:00
0bebe6c428
First commit, things not working though.
2022-03-29 07:50:19 +01:00
015257889d
flag compatibility with VTK version 9
2022-03-29 01:03:04 -04:00
b211f97efa
update and improve ADIOS support
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- modernize code
- remove dead code and unused definitions, enums, and includes
- create default adios2_config.xml file if it doesn't exist
- enable and apply clang-format
- update documentation
2022-03-29 01:01:57 -04:00
333e3b0491
apply clangformat
2022-03-28 22:48:00 -04:00
3ba7b8c24c
add star_subst() utility function that replaces a '*' in a string with a number
2022-03-28 22:47:20 -04:00
60e2b84e09
Fuse loops
2022-03-28 14:43:16 -06:00
d80fe166d1
Merge branch 'develop' into collected-small-changes
2022-03-28 16:30:01 -04:00
438cba3604
update programming style to latest conventions, enable and apply clang-format
2022-03-28 16:26:55 -04:00
88c075ba90
Tune for HIP
2022-03-28 14:19:50 -06:00
48332c3b18
Rename variable
2022-03-28 14:17:44 -06:00
63caa8bb44
reorder so that kspace follows improper and comes before compute
2022-03-28 15:12:25 -04:00
120c080fc2
avoid converting a null pointer to a std::string and correct error check
2022-03-28 15:07:23 -04:00
9920b22509
programming style updates
2022-03-28 15:06:55 -04:00
cd8cdc711c
Merge pull request #3189 from CDenniston/develop
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remove defunct LBtype argument from lb/fluid doc
2022-03-28 14:12:00 -04:00
540cf9b6d7
Merge pull request #3188 from njzjz/kspace_plugin
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support kspace style plugin
2022-03-28 11:58:40 -04:00
51c41f09bf
recover unit tests for variables
2022-03-28 09:21:25 -04:00
d7f95da8f3
add extract_setting special function to variable command
2022-03-28 08:00:29 -04:00
4545954385
reformat for wider lines
2022-03-28 07:24:51 -04:00
c52bffda9c
remove defunct LBtype argument from lb/fluid doc
2022-03-27 11:26:23 -04:00
ff107315cb
need to always extract the path to MPI include directory
2022-03-26 23:20:57 -04:00
980b6cada7
update formatting
2022-03-26 10:55:10 -04:00
36444a1db1
add DOI for 29 September 2021 version
2022-03-26 10:48:45 -04:00
356091e1e0
support kspace plugin
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I need such feature in the development of deepmd-kit.
2022-03-26 03:39:07 -04:00
0c1516b34d
Add another missing change
2022-03-25 14:14:42 -07:00
d648247b80
whitespace
2022-03-25 13:03:56 -07:00
d131223161
Restore changes lost in Git shuffle
2022-03-25 12:59:45 -07:00
9f0eb2ea1a
Add note about memory
2022-03-25 12:17:33 -07:00
b14086f3f9
Update docs
2022-03-25 12:12:04 -07:00
