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88ccaeddc1
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always return initialized data when extracting per-type info
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2024-06-18 06:58:26 -04:00 |
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ab800b4e26
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skip over groups with whitepsace in their name so we don't create illegal index files
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2024-06-17 17:23:05 -04:00 |
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c867bb3e28
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enable and apply clang-format
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2024-06-17 17:00:00 -04:00 |
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9856ef7d81
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better error handling when processing index files with illegal group names
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2024-06-17 16:57:22 -04:00 |
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318b43f358
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update group2ndx/ndx2group docs
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2024-06-17 15:02:43 -04:00 |
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f4005e350a
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update fix plumed API version check and add reminder comments to build files
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2024-06-17 07:11:56 -04:00 |
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4be1b41aef
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class n func rename
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2024-06-17 10:03:06 +02:00 |
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d8c88c70ea
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Merge pull request #4189 from evoyiatzis/patch-2
Update fep.py
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2024-06-16 01:27:42 -04:00 |
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7704227bfb
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Merge pull request #4195 from jtclemm/small-patches
Various small patches for GRANULAR and BPM packages
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2024-06-16 01:26:01 -04:00 |
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59fb8a6835
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avoid segfault trying to delete non-copied style
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2024-06-15 14:08:14 -04:00 |
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d2ea3b1ac5
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add some tests for new features
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2024-06-15 08:28:52 -04:00 |
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ee0dd80cbe
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fix another typo
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2024-06-15 06:17:13 -04:00 |
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9b52f66a5a
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fix typos
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2024-06-15 05:55:45 -04:00 |
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cb3aa07287
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update PyLammps to use added properties directly instead of parsing them.
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2024-06-14 20:21:19 -04:00 |
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1ce94e47d8
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also make "comm->ghost_velocity" accessible
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2024-06-14 20:20:53 -04:00 |
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77b610a2bd
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also make comm->style, comm->layout, and comm->mode accessible through the library interface
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2024-06-14 20:04:21 -04:00 |
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514039ed62
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library: add comm->procgrid to extract_global
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2024-06-14 08:10:24 -06:00 |
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a4ac48addf
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add example file and author contrib
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2024-06-14 10:13:48 +02:00 |
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11ef510a93
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Merge branch 'lammps:develop' into improve_type_label_support
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2024-06-13 19:26:42 -04:00 |
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03251e823f
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add terminal newline
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2024-06-13 15:20:12 -04:00 |
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fb23df7bf7
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example input file
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2024-06-13 17:35:45 +02:00 |
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575853b27a
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correct headers' author
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2024-06-13 17:11:54 +02:00 |
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8eec17d409
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add missing file for CMake build
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2024-06-13 09:26:23 -04:00 |
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e95598a716
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doc fixes
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2024-06-13 09:17:09 -04:00 |
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397dc9a7f6
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build system and maintenance updates
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2024-06-13 09:13:55 -04:00 |
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4b0adcc66a
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avoid segfaults when updating charts in simulations with fast thermo output
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2024-06-13 08:34:25 -04:00 |
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3865dda5a2
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integrate new doc file into manual
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2024-06-13 08:33:40 -04:00 |
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1b040d7108
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white space fix
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2024-06-13 13:49:18 +02:00 |
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8bbbe2dd6b
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Update pair_dpd_coul_slater_long.rst
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2024-06-13 11:43:57 +02:00 |
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35cbc84329
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Update lal_dpd_coul_slater_long.cpp
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2024-06-13 10:25:56 +02:00 |
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ce7ba21b8b
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clarify potentially misleading comment
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2024-06-12 17:02:25 -04:00 |
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67d86b559e
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Clarifying BPM logic and removing spelling errors in doc
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2024-06-12 14:44:13 -06:00 |
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53db2af179
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Adding ndata accessor to bond history
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2024-06-12 12:27:34 -06:00 |
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610172b9dc
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Merge branch 'lammps:develop' into cg-dna
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2024-06-12 17:38:20 +01:00 |
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2434ad6574
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doc page
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2024-06-12 17:29:16 +02:00 |
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99263ed7d7
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init_atomic with new pair name
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2024-06-12 15:41:38 +02:00 |
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2470d621c8
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wrong header name...
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2024-06-12 15:31:28 +02:00 |
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3686a7fcf3
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wrong cl / cubin header file names
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2024-06-12 15:25:28 +02:00 |
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84ed769ca3
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changing the fix name and file names for coherence
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2024-06-12 15:12:55 +02:00 |
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7f1fbca66f
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update lal_base_dpd for optional charged
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2024-06-12 14:30:54 +02:00 |
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1a310f5729
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Limit CoeffRest gran damping to non-cohesive, prevent potential nans
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2024-06-11 17:03:15 -06:00 |
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5ff853ce67
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Merge branch 'develop' into small-patches
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2024-06-11 16:56:28 -06:00 |
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c190318649
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Small doc page clarifications
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2024-06-11 16:53:10 -06:00 |
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7bb0da5255
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Increased checks for broken bonds in bond BPM
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2024-06-11 16:11:24 -06:00 |
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2d9aad67d0
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Consistent newton checks compute nbond/atom
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2024-06-11 15:24:34 -06:00 |
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e0228d1f15
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Bond history compatability delete atoms
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2024-06-11 13:16:34 -06:00 |
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09bea938c5
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fix copy-n-paste error
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2024-06-10 14:26:32 -04:00 |
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d61c94c0f3
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move group2ndx and ndx2group to new EXTRA-COMMAND package. update docs.
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2024-06-10 14:14:36 -04:00 |
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567ba1f437
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improve R value for SI units
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2024-06-10 19:37:35 +02:00 |
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77c04d3827
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cosmetic changes
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2024-06-10 09:15:14 -04:00 |
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