|
|
bbcffd4b5a
|
Merge pull request #3163 from akohlmey/test-compute
Add unit tests for computes
|
2022-03-07 13:49:07 -05:00 |
|
|
|
8d5a59c0fa
|
Switched all command and class names from pressure to stress
|
2022-03-07 11:27:37 -07:00 |
|
|
|
6c4bc8258c
|
Merge pull request #3162 from phankl/mesocnt_memory
Optimized memory usage for pair style mesocnt
|
2022-03-07 12:03:58 -05:00 |
|
|
|
c2b0347b30
|
Added notes on similarity between these computes
|
2022-03-07 09:09:29 -07:00 |
|
|
|
8f10953e92
|
Small comma error in citation
|
2022-03-07 10:27:23 +01:00 |
|
|
|
c8b7fc2144
|
Added cross-reference to compute pressure/cartesian
|
2022-03-06 20:19:38 -07:00 |
|
|
|
6da4db4d7e
|
Merge branch 'compute_pressure_cartesian_and_spherical' of github.com:olavgal/lammps into compute_pressure_cartesian_and_spherical
|
2022-03-06 20:11:20 -07:00 |
|
|
|
e857b923bc
|
Added representative output to log files
|
2022-03-06 20:11:10 -07:00 |
|
|
|
793db836d9
|
update .gitignore
|
2022-03-06 19:55:11 -05:00 |
|
|
|
a2bf40df0a
|
correct mini-ToC links and add missing entry
|
2022-03-06 11:45:26 -05:00 |
|
|
|
aaa51d6fc6
|
optimizations and avoiding floating point exceptions
|
2022-03-06 11:04:51 -05:00 |
|
|
|
2f5f36cff8
|
move examples to a more appropriate folder. add logfiles
|
2022-03-06 11:03:57 -05:00 |
|
|
|
44e3874541
|
Changed citations
|
2022-03-06 12:50:25 +01:00 |
|
|
|
fac3ce4507
|
example files for pressure/cartesian/cylinder/spherical
|
2022-03-06 12:43:37 +01:00 |
|
|
|
005f76a9e6
|
clang-format
|
2022-03-06 05:24:29 -05:00 |
|
|
|
72cbffee7d
|
fix bug looking up neighbor lists
|
2022-03-06 05:24:15 -05:00 |
|
|
|
4781a4c8c6
|
style update
|
2022-03-06 04:49:08 -05:00 |
|
|
|
440e01d243
|
no longer needed. done by Neighbor class directly.
|
2022-03-06 04:48:54 -05:00 |
|
|
|
e9bcde4b58
|
more openmp neighbor list function to Neighbor class
|
2022-03-06 04:48:37 -05:00 |
|
|
|
cc618264a0
|
allow only one accelerator type enabled for neighbor lists
|
2022-03-06 04:47:22 -05:00 |
|
|
|
3f80894857
|
Merge branch 'develop' into neigh-request-refactor
|
2022-03-06 04:23:52 -05:00 |
|
|
|
54e667e491
|
convert more styles to use new neighbor list request API, apply clang-format
|
2022-03-05 21:44:45 -05:00 |
|
|
|
ffb367663d
|
add more accessor functions
|
2022-03-05 21:08:25 -05:00 |
|
|
|
f1d695299e
|
simplify checking for intel neighbor list requests
|
2022-03-05 20:31:56 -05:00 |
|
|
|
8fe78e5fc4
|
enable and apply clang-format
|
2022-03-05 20:21:32 -05:00 |
|
|
|
de4b9a1d20
|
use new neighbor list request API
|
2022-03-05 20:20:55 -05:00 |
|
|
|
21fc072396
|
enable and apply clang-format
|
2022-03-05 20:19:24 -05:00 |
|
|
|
5dbad2354a
|
use new neighbor list request API
|
2022-03-05 20:18:40 -05:00 |
|
|
|
c5c3c335c9
|
enable clang-format
|
2022-03-05 20:16:10 -05:00 |
|
|
|
875560b827
|
use new neighbor list request API
|
2022-03-05 20:15:48 -05:00 |
|
|
|
67a7764086
|
Initalizing nullptrs, fixing labels, small errors in doc, and sign errors in rot sliding damp
|
2022-03-05 17:07:02 -07:00 |
|
|
|
095c9ab9d1
|
whitespace
|
2022-03-05 17:08:49 -05:00 |
|
|
|
83f08ff8ef
|
small update and correct broken link
|
2022-03-05 17:07:00 -05:00 |
|
|
|
8945050423
|
cosmetic
|
2022-03-05 16:47:31 -05:00 |
|
|
|
be4f5288d3
|
modernize potential file reader in pair style mesocnt
|
2022-03-05 16:47:06 -05:00 |
|
|
|
f329711384
|
Merge branch 'develop' into mesocnt_memory
|
2022-03-05 15:06:23 -05:00 |
|
|
|
a9eae51d27
|
print name of non-existent compute/fix/variable in error message
|
2022-03-05 14:31:24 -05:00 |
|
|
|
ece25a95ad
|
stability improvements: recompute bin width for perfect match, don't test for floating point identity
|
2022-03-05 13:46:56 -05:00 |
|
|
|
15fa6049f2
|
update comments
|
2022-03-05 12:33:54 -05:00 |
|
|
|
43ac557a9b
|
remove unused headers and dead code. reformat a few small items
|
2022-03-05 12:31:36 -05:00 |
|
|
|
c24e46c547
|
don't apply modulus to doubles but integers
|
2022-03-05 12:30:40 -05:00 |
|
|
|
9a98817567
|
reformat doc page and address spelling issues
|
2022-03-05 11:35:37 -05:00 |
|
|
|
99d29ea86a
|
Added kinetic contribution to pressure/cylinder and clang-format on all
|
2022-03-05 16:30:47 +01:00 |
|
|
|
089e46a540
|
Fixed some gramma
|
2022-03-05 16:29:42 +01:00 |
|
|
|
4e125ccfc6
|
Combined pressure profile documentation into one page
|
2022-03-05 16:22:11 +01:00 |
|
|
|
f9c02b9735
|
clarify. improve typesetting
|
2022-03-05 10:18:00 -05:00 |
|
|
|
87c96aeeb1
|
add tests for more compute styles
|
2022-03-05 10:07:54 -05:00 |
|
|
|
b3bef9cd34
|
Merged
|
2022-03-05 10:30:38 +01:00 |
|
|
|
9ea0c581ac
|
Adding kinetic contribution to prssure/cylinder
|
2022-03-05 10:25:28 +01:00 |
|
|
|
1ab85f5941
|
update citation references
|
2022-03-04 18:16:02 -05:00 |
|
