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2090d33d5f
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Merge pull request #3848 from ndtrung81/amoeba-gpu-bugfix
Bugfix for AMOEBA/HIPPO GPU
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2023-07-14 18:32:58 -04:00 |
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be2e437cec
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use approximation for erfc() on OpenCL for Intel since the OpenCL version seems broken
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2023-07-14 10:08:59 -04:00 |
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620c60122a
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should not use pow() for computing cube, use multiplication.
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2023-07-14 10:08:09 -04:00 |
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e2d7c54409
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Merge pull request #3851 from hammondkd/doc-fixes
Documentation: swap "parsed-literal::" for "code-block:: LAMMPS" in Syntax sections
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2023-07-12 23:26:17 -04:00 |
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acb0b89833
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fix typos
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2023-07-12 20:48:36 -04:00 |
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6907543e9d
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highlight if/then/elif/else everywhere, but revert for general keywords
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2023-07-12 20:25:49 -04:00 |
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df2cfe28c4
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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
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2023-07-12 18:38:08 -04:00 |
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24de6377d3
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handle more commands with arguments for more consistent syntax highlighting
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2023-07-12 14:43:04 -04:00 |
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fe95dbc82f
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enforce all special_bonds weights to be 1.0 when overlay/pair is used
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2023-07-12 11:37:17 -06:00 |
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751dc1cfb6
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improve pygments lexer to detect more text to highlight and for more consistency
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2023-07-12 12:28:03 -04:00 |
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3b859094bf
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there is no mandatory group-ID for both commands
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2023-07-12 12:27:15 -04:00 |
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7d88a351f5
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Merge branch 'develop' into doc-fixes
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2023-07-12 11:41:15 -04:00 |
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6e65744d1a
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Merge pull request #3844 from akohlmey/collected-small-fixes
Collected small fixes
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2023-07-12 11:40:02 -04:00 |
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eb52112a57
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Merge branch 'develop' into collected-small-fixes
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2023-07-11 23:07:52 -04:00 |
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9e049147be
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remove accidental commit
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2023-07-11 19:50:37 -04:00 |
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fe2a275531
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update list of known commands
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2023-07-11 19:40:14 -04:00 |
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6efa8526ba
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work around pygments issue
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2023-07-11 19:39:54 -04:00 |
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6123883324
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Replaced parsed-literal:: with code-block:: LAMMPS under "Syntax"
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2023-07-11 17:57:22 -05:00 |
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4bfffce703
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merge conflict
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2023-07-11 17:15:27 -05:00 |
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0f89a8b2ca
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explicit special_bonds commands for 1-2 coul weight equal to zero
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2023-07-11 10:42:26 -06:00 |
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564a8e88c1
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use blanks on both sides of comparison operators not only one, remove blanks next to parenthesis
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2023-07-11 10:31:16 -04:00 |
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3328389baf
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Merge pull request #3814 from rohskopf/jax
JAX ML-IAP Unified connection & examples
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2023-07-11 07:15:18 -04:00 |
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4d8ef552c4
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remove dead code, trim namespace imports
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2023-07-10 22:42:49 -04:00 |
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c63c9711d5
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update remaining ellipsoid example dump output for OVITO compatibility
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2023-07-10 19:42:48 -04:00 |
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a4b3306b7c
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fix error message
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2023-07-10 18:48:13 -04:00 |
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cb27cb644f
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-07-10 13:11:24 -04:00 |
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254afdd938
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Merge pull request #3849 from jibril-b-coulibaly/doclink
fix typo for broken links in doc
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2023-07-10 13:10:38 -04:00 |
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469ffc7aba
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Merge pull request #3845 from ndtrung81/dielectric-updates2
Update and bugfix for the DIELECTRIC package
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2023-07-10 11:50:23 -04:00 |
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55343d715c
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update URL
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2023-07-09 21:39:51 -04:00 |
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2607212363
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update for upstream changes
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2023-07-09 21:21:39 -04:00 |
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63c28337ab
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Merge branch 'develop' into collected-small-fixes
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2023-07-09 21:20:07 -04:00 |
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91b16c5945
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make certain conductivity class member is always initialized
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2023-07-09 21:10:44 -04:00 |
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60b45f9766
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correct error message
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2023-07-09 18:01:19 -06:00 |
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0718114a67
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fix typo for broken links in doc
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2023-07-09 17:43:39 -06:00 |
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75a2557e82
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fix bugs where an Atom::tag value was stored in an int and not a tagint
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2023-07-09 15:41:39 -04:00 |
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d6412dc97b
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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
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2023-07-08 00:50:19 -05:00 |
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651ed1960d
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add per-atom data bugfix from Stan for fix ave/histo and fix ave/histo/weight
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2023-07-07 18:29:28 -04:00 |
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6a8ca34ce8
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Merge pull request #3843 from dsbolin/gran_heat
Minor bug fix and enhancements for granular heat transfer
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2023-07-06 21:09:23 -04:00 |
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a3b9914f62
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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
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2023-07-06 17:48:49 -06:00 |
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8665da6824
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Merge pull request #3842 from lammps/rigid-gravity-doc
Add gravity keyword info to fix rigid doc page
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2023-07-06 15:36:43 -04:00 |
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6f289df980
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enable and apply clang-format
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2023-07-06 15:05:36 -04:00 |
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6d8f5a38ea
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improve error messages
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2023-07-06 15:03:38 -04:00 |
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bf0372280e
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remove dead code
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2023-07-06 14:59:09 -04:00 |
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3e4b66378a
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typo
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2023-07-06 14:06:31 -04:00 |
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55b7b3d999
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whitespace fixes
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2023-07-06 14:03:07 -04:00 |
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b66a5cd225
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fix another typo
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2023-07-06 13:31:00 -04:00 |
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cac8247383
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Modified doc page for pair granular to include flux as extra pairwise quantity
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2023-07-06 11:19:22 -06:00 |
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6e41ac7ead
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fix typo
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2023-07-06 09:14:00 -07:00 |
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02845483d2
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add gravity keyword info to fix rigid doc page
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2023-07-06 09:08:15 -07:00 |
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8ae5ab57fc
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non-ellipsoid particles you have a 1,0,0,0 quaternion and 1,1,1 shape
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2023-07-06 09:17:27 -04:00 |
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