|
|
dba4d9ebbc
|
Merge pull request #3855 from akohlmey/collected-small-changes
Collected small changes and fixes
|
2023-07-17 19:00:40 -04:00 |
|
|
|
3568cced4b
|
update comment
|
2023-07-17 09:52:44 -04:00 |
|
|
|
27aa6898f8
|
modernize access for fixes and computes
|
2023-07-16 20:24:22 -04:00 |
|
|
|
89d82fde22
|
modernize access to list of fixes
|
2023-07-16 15:20:36 -04:00 |
|
|
|
fd0a72eab5
|
modernize and consolidate style across all three temper command variants
|
2023-07-15 12:37:12 -04:00 |
|
|
|
77bdcb3e19
|
small doc style update
|
2023-07-15 12:36:41 -04:00 |
|
|
|
baac049aed
|
update LAMMPS input file syntax highlighting for recent changes
|
2023-07-15 12:25:03 -04:00 |
|
|
|
5e1c722b10
|
Merge branch 'develop' into collected-small-changes
|
2023-07-14 20:09:27 -04:00 |
|
|
|
e6873bb7c8
|
modernize code
|
2023-07-14 20:08:34 -04:00 |
|
|
|
78d3d4948f
|
fix off-by-one bug in argument parsing
|
2023-07-14 20:08:21 -04:00 |
|
|
|
2090d33d5f
|
Merge pull request #3848 from ndtrung81/amoeba-gpu-bugfix
Bugfix for AMOEBA/HIPPO GPU
|
2023-07-14 18:32:58 -04:00 |
|
|
|
be2e437cec
|
use approximation for erfc() on OpenCL for Intel since the OpenCL version seems broken
|
2023-07-14 10:08:59 -04:00 |
|
|
|
620c60122a
|
should not use pow() for computing cube, use multiplication.
|
2023-07-14 10:08:09 -04:00 |
|
|
|
02d189fb23
|
avoid false positive with static code analysis
|
2023-07-13 10:53:56 -04:00 |
|
|
|
e2d7c54409
|
Merge pull request #3851 from hammondkd/doc-fixes
Documentation: swap "parsed-literal::" for "code-block:: LAMMPS" in Syntax sections
|
2023-07-12 23:26:17 -04:00 |
|
|
|
acb0b89833
|
fix typos
|
2023-07-12 20:48:36 -04:00 |
|
|
|
6907543e9d
|
highlight if/then/elif/else everywhere, but revert for general keywords
|
2023-07-12 20:25:49 -04:00 |
|
|
|
df2cfe28c4
|
Merge pull request #3850 from jibril-b-coulibaly/BPM
BPM package: allow bonded atoms to be excluded from neighbor lists if BPM cannot break + doc update
|
2023-07-12 18:38:08 -04:00 |
|
|
|
24de6377d3
|
handle more commands with arguments for more consistent syntax highlighting
|
2023-07-12 14:43:04 -04:00 |
|
|
|
fe95dbc82f
|
enforce all special_bonds weights to be 1.0 when overlay/pair is used
|
2023-07-12 11:37:17 -06:00 |
|
|
|
751dc1cfb6
|
improve pygments lexer to detect more text to highlight and for more consistency
|
2023-07-12 12:28:03 -04:00 |
|
|
|
3b859094bf
|
there is no mandatory group-ID for both commands
|
2023-07-12 12:27:15 -04:00 |
|
|
|
7d88a351f5
|
Merge branch 'develop' into doc-fixes
|
2023-07-12 11:41:15 -04:00 |
|
|
|
6e65744d1a
|
Merge pull request #3844 from akohlmey/collected-small-fixes
Collected small fixes
|
2023-07-12 11:40:02 -04:00 |
|
|
|
eb52112a57
|
Merge branch 'develop' into collected-small-fixes
|
2023-07-11 23:07:52 -04:00 |
|
|
|
9e049147be
|
remove accidental commit
|
2023-07-11 19:50:37 -04:00 |
|
|
|
fe2a275531
|
update list of known commands
|
2023-07-11 19:40:14 -04:00 |
|
|
|
6efa8526ba
|
work around pygments issue
|
2023-07-11 19:39:54 -04:00 |
|
|
|
6123883324
|
Replaced parsed-literal:: with code-block:: LAMMPS under "Syntax"
|
2023-07-11 17:57:22 -05:00 |
|
|
|
4bfffce703
|
merge conflict
|
2023-07-11 17:15:27 -05:00 |
|
|
|
0f89a8b2ca
|
explicit special_bonds commands for 1-2 coul weight equal to zero
|
2023-07-11 10:42:26 -06:00 |
|
|
|
564a8e88c1
|
use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
|
2023-07-11 10:31:16 -04:00 |
|
|
|
3328389baf
|
Merge pull request #3814 from rohskopf/jax
JAX ML-IAP Unified connection & examples
|
2023-07-11 07:15:18 -04:00 |
|
|
|
4d8ef552c4
|
remove dead code, trim namespace imports
|
2023-07-10 22:42:49 -04:00 |
|
|
|
c63c9711d5
|
update remaining ellipsoid example dump output for OVITO compatibility
|
2023-07-10 19:42:48 -04:00 |
|
|
|
a4b3306b7c
|
fix error message
|
2023-07-10 18:48:13 -04:00 |
|
|
|
cb27cb644f
|
Merge remote-tracking branch 'github/develop' into collected-small-fixes
|
2023-07-10 13:11:24 -04:00 |
|
|
|
254afdd938
|
Merge pull request #3849 from jibril-b-coulibaly/doclink
fix typo for broken links in doc
|
2023-07-10 13:10:38 -04:00 |
|
|
|
469ffc7aba
|
Merge pull request #3845 from ndtrung81/dielectric-updates2
Update and bugfix for the DIELECTRIC package
|
2023-07-10 11:50:23 -04:00 |
|
|
|
55343d715c
|
update URL
|
2023-07-09 21:39:51 -04:00 |
|
|
|
2607212363
|
update for upstream changes
|
2023-07-09 21:21:39 -04:00 |
|
|
|
63c28337ab
|
Merge branch 'develop' into collected-small-fixes
|
2023-07-09 21:20:07 -04:00 |
|
|
|
91b16c5945
|
make certain conductivity class member is always initialized
|
2023-07-09 21:10:44 -04:00 |
|
|
|
60b45f9766
|
correct error message
|
2023-07-09 18:01:19 -06:00 |
|
|
|
0718114a67
|
fix typo for broken links in doc
|
2023-07-09 17:43:39 -06:00 |
|
|
|
75a2557e82
|
fix bugs where an Atom::tag value was stored in an int and not a tagint
|
2023-07-09 15:41:39 -04:00 |
|
|
|
d6412dc97b
|
Attempted to resolve issues with switching from acctyp4 to acctyp3 in tep, fieldp since the changes in PR #3675, noting some changes with Intel OCL PR #3663
|
2023-07-08 00:50:19 -05:00 |
|
|
|
651ed1960d
|
add per-atom data bugfix from Stan for fix ave/histo and fix ave/histo/weight
|
2023-07-07 18:29:28 -04:00 |
|
|
|
6a8ca34ce8
|
Merge pull request #3843 from dsbolin/gran_heat
Minor bug fix and enhancements for granular heat transfer
|
2023-07-06 21:09:23 -04:00 |
|
|
|
a3b9914f62
|
make error messages consistent with keyword values yes/no. Allow coul weight for 1-2 bonds to be zero for break no to eliminate bonded atoms from neighbor list when bonds cannot break
|
2023-07-06 17:48:49 -06:00 |
|
