8f0dea91c7
correct setting forward/reverse buffer size info
2021-12-08 13:54:47 -05:00
a5ee7ca73f
make certain did_mix is initialized
2021-12-08 00:51:04 -05:00
40c04a210b
correct handling of data packing for forward and reverse communication
2021-12-08 00:22:36 -05:00
cac7c59bb6
error messages fix
2021-12-07 23:36:05 -05:00
83a978d69b
error messages
2021-12-07 23:32:14 -05:00
26492b13d5
logic for dumps every steps and time delta
2021-12-07 13:46:36 -07:00
605d2b7ab2
Use SYCL pinned host memory from Kokkos.
...
Depends on this PR from Kokkos:
https://github.com/kokkos/kokkos/pull/4268/
2021-12-07 16:49:27 +00:00
1afdd3c011
new output vars for dumps
2021-12-07 09:16:19 -07:00
ee9ea4f80f
whitespace
2021-12-06 23:08:30 -05:00
f3eac179e6
Expanding broken bonds documentation, adding support for more create/delete bond commands, misc small edits
2021-12-06 17:27:25 -07:00
ac57c44552
update unit test for renamed bond style
2021-12-06 16:35:20 -05:00
6314290558
clarify docs for bond style fene/nm/split and rename to fene/nm
2021-12-06 16:21:12 -05:00
f88009c626
correct comments
2021-12-06 15:50:16 -05:00
2f851db756
Merge branch 'lammps:develop' into type-labels
2021-12-06 15:22:33 -05:00
f8212fdb31
add randomization and debug prints
2021-12-06 13:11:51 -07:00
40258f8b9a
Adding Steve's edits in documenation + associated changes in files
2021-12-03 16:12:31 -07:00
c72771ae1d
align with non-OpenMP version
2021-12-03 17:16:08 -05:00
6b28816c11
must set defaults for (optional) maxdelcs keyword, add consistency check
2021-12-03 17:15:44 -05:00
2d6e4d4d79
Merge branch 'develop' into nm_split_styles
2021-12-03 14:18:07 -05:00
405fea44da
convert from CR-LF to consistent line endings
2021-12-03 14:17:31 -05:00
859e0348ea
fixed some issues
2021-12-03 17:45:31 +02:00
1dd4a67771
add keyword for userdefined maxdelcs
2021-12-03 17:32:08 +02:00
262c103aaa
replacing hard-coded values with named constants
2021-12-03 15:46:00 +02:00
9a90803b23
Merge pull request #2984 from lammps/delete-atoms-porosity-group
...
Add new group arg for delete_atoms porosity
2021-12-02 16:07:49 -05:00
ef90089d8d
Merge pull request #2867 from ndtrung81/gpu-newton-pair-on
...
Enabled newton pair on for gpu pair styles
2021-12-02 15:42:34 -05:00
2ba5aeec31
whitespace
2021-12-02 15:30:53 -05:00
4ecb894d9d
simplify by using new API
2021-12-02 15:27:06 -05:00
637c6bf28a
Merge branch 'develop' into delete-atoms-porosity-group
2021-12-02 15:15:47 -05:00
42df189abd
update .gitignore
2021-12-02 13:49:26 -05:00
c33e6538bb
simplification by deriving pair style sw/mod/omp from sw/omp instead of sw/mod
2021-12-02 12:12:57 -05:00
3bf171d753
move pair sw/mod/omp to correct location
2021-12-02 12:01:05 -05:00
30d3b2c209
merge rst files and add omp style
2021-12-02 15:46:00 +02:00
a3bc8a3067
Revert "update the write function"
...
This reverts commit d6edbf6bcd
2021-12-02 05:52:22 -06:00
ca8dddf002
upgrade of lb/fluid fix
...
This includes documentation files in the rst format in the doc/src directory, examples in the examples/PACKAGES/latboltz directory and source files in the src/LATBOLTZ directory.
2021-12-01 14:31:57 -05:00
01ddfe95f0
prepare fix plumed to be compatible with version 2.8
2021-12-01 13:44:56 -05:00
3bc36070a9
fix the invoking issue
2021-12-01 04:56:46 +02:00
4a05628938
bug fixes from Doug Spearot
2021-11-30 08:22:38 -07:00
8556b71949
derived class of sw
2021-11-30 10:14:20 +02:00
5fa185bfda
Fixing bug in failing to update values across runs
2021-11-29 14:04:07 -07:00
597054edf3
A modification to SW potential
2021-11-29 16:08:32 +02:00
0894bc2682
remove duplicate
2021-11-29 07:56:10 -06:00
7559cc0536
Update the labelmap command
...
Update the labelmap command. If a type label already exists for a given
numeric type, it will be overwritten.
2021-11-29 05:36:20 -06:00
4589e30e0e
remove duplicate
2021-11-28 20:13:27 -06:00
d6edbf6bcd
update the write function
2021-11-28 19:35:33 -06:00
6d47160bef
print error message in one line
2021-11-28 18:58:56 -06:00
76eb4f8057
Update the implementation & typelabels interface
...
Update the typelabels interface in the code and update the
LabelMap use based on class changes.
2021-11-28 18:55:55 -06:00
6a3d163c7c
Update the typelabels interface
2021-11-28 18:55:26 -06:00
78c72ddd31
Update the LabelMap implementation
...
Update the LabelMap implementation based on unordered_map.
2021-11-28 18:53:28 -06:00
49cfd6c486
Update the LabelMap to use unordered_map
...
Update the LabelMap to use unordered_map and optimize search of
elements in average constant-time complexity. It also enforce
enforce unique labels.
2021-11-28 18:49:50 -06:00
ddf97fa8fc
tweak error messages
2021-11-24 15:34:43 -05:00
