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ccc078f036
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Add apip to documentation of read_dump and compute property/atom.
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2025-06-06 14:41:52 +02:00 |
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9a65ab2c4d
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Merge branch 'develop' into apip_devel and solve merge conflict in set.
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2025-06-06 13:32:00 +02:00 |
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84f20fe516
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must initialize pyindex[ivar] in equalstyle check
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2025-06-06 05:59:03 -04:00 |
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4cb936c3c6
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no need to allocate since we use the space of the python style variable, which is required
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2025-06-06 02:17:39 -04:00 |
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65debaf191
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resolve NOTES and add option to print return value to log with python invoke
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2025-06-06 02:02:04 -04:00 |
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001fa6a024
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corrections from GitHub copilot
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2025-06-06 00:28:18 -04:00 |
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f69d28fbab
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Merge branch 'develop' into atom-style-var-with-python
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2025-06-06 00:20:06 -04:00 |
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1b12f3b47e
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improve error messages for python command
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2025-06-06 00:19:56 -04:00 |
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e1aa3cf7ec
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move throwing Python variable errors to PythonImpl class and change API accordingly.
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2025-06-06 00:19:33 -04:00 |
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f6f3eb1c31
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bug-fix bug fix
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2025-06-06 00:15:30 -04:00 |
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e5f0e23a11
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clang-format apip package.
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2025-06-05 20:46:32 +02:00 |
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6c798f1847
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Update APIP naming in documentation.
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2025-06-05 20:05:37 +02:00 |
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20f123ddd1
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Update notation in APIP examples.
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2025-06-05 17:22:19 +02:00 |
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bc93311309
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Fix typos.
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2025-06-05 17:21:03 +02:00 |
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19a108bd21
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Add apip suffix in pair_styles lambda/input and lambda/input/csp.
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2025-06-05 15:38:38 +02:00 |
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4fcbdbe3a1
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pair_style lambda/zone -> pair_style lambda/zone/apip
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2025-06-05 15:15:06 +02:00 |
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1086db672c
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Capitalise apip in PACE class names.
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2025-06-05 15:01:51 +02:00 |
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f34284fca0
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Capitalise apip in EAM class names.
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2025-06-05 14:40:21 +02:00 |
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94d39239b5
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fix lambda -> fix lambda/apip
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2025-06-05 14:29:43 +02:00 |
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dd4afb16ad
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fix lambda_thermostat -> fix lambda_thermostat/apip
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2025-06-05 14:06:17 +02:00 |
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1d5efd05bd
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fix apip_atom_weight -> fix atom_weight/apip
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2025-06-05 13:22:13 +02:00 |
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b6a57c2480
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Add apip prefix to internal variable names.
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2025-06-05 12:44:01 +02:00 |
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bf97cc470f
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Temporarily remove fix neighbor/swap until implementation issues are fixed
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2025-06-05 05:19:35 -04:00 |
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bd26d7a742
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Add apip names in read_dump.
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2025-06-05 11:09:35 +02:00 |
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d3f00eeff4
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Add apip names in set.
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2025-06-05 10:59:32 +02:00 |
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67d668cb62
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Add apip names in compute property/atom.
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2025-06-05 10:54:06 +02:00 |
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9d4aad2588
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Remove APIP from dump_custom, fix store/state and variable.
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2025-06-05 10:45:36 +02:00 |
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f5b64118cc
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accept denormal floating point numbers in tokenizer class and utils::numeric()
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2025-06-04 21:07:18 -04:00 |
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acf8a51b01
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-04 19:42:03 -04:00 |
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b3f160c118
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Merge pull request #4567 from lammps/fix-set-command
New fix set command
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2025-06-04 19:40:29 -04:00 |
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ece4939708
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Merge branch 'develop' into fix-set-command
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2025-06-04 16:22:45 -04:00 |
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0fb02af020
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Merge pull request #4599 from akohlmey/collected-small-fixes
Collected small fixes and updates
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2025-06-04 14:42:06 -04:00 |
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3f58927829
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one more correction
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2025-06-04 12:22:43 -04:00 |
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b73f78ea88
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update libvoro++ patch
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2025-06-04 12:20:29 -04:00 |
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ba8dd4d380
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only build the voro++ library when downloading
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2025-06-04 12:10:58 -04:00 |
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45ba47e0d0
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Set version date for next feature release
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2025-06-04 10:14:07 -04:00 |
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ddb6bb2cfb
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adjust to include new build of gcc/musl cross-compiler
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2025-06-04 09:57:14 -04:00 |
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b509c53003
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small improvement
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2025-06-04 09:56:53 -04:00 |
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9941d9132c
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reformulate
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2025-06-04 00:30:10 -04:00 |
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11bf72c4aa
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Merge branch 'develop' into molecule-refactor-for-json
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2025-06-03 22:02:48 -04:00 |
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ba093790fc
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remove tabs
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2025-06-03 21:57:41 -04:00 |
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5386dce0cf
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Update molecule.rst
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2025-06-03 20:45:02 -04:00 |
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87cf0f964e
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use common container for Linux release tasks
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2025-06-03 02:35:23 -04:00 |
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f9003e6a16
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revert to single defition of LAMMPS integer sizes to be applied to GPU library
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2025-06-02 23:47:08 -04:00 |
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deef742897
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make attempt_swap valgrind clean. now fails in pair->compute().
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2025-06-02 22:19:09 -04:00 |
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6a2e796538
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make fix neighbor/swap valgrind clean
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2025-06-02 21:30:56 -04:00 |
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3086e6e0ec
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Merge branch 'develop' into collected-small-fixes
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2025-06-02 20:50:45 -04:00 |
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117a451b15
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Merge pull request #4597 from akohlmey/cmake-adjustments
Small CMake updates
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2025-06-02 20:47:40 -04:00 |
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8a8fc2f1d8
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apply -DLAMMPS_${LAMMPS_SIZES} consistently across all platforms
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2025-06-02 20:29:00 -04:00 |
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688800038a
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force skip MPI for C++ setting into cache
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2025-06-02 20:14:11 -04:00 |
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