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5ff0f05933
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more details in serial performance summary
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2025-05-27 18:07:48 -04:00 |
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6843424dad
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add version tag, rewrap, minor tweaks to doc page.
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2025-05-27 10:38:41 -04:00 |
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d59f7d3381
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Merge branch 'develop' into fix-gauss
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2025-05-27 10:34:07 -04:00 |
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d6a0d3bacf
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small update
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2025-05-27 07:37:42 -04:00 |
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f5c51af9bc
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demonstrate how serial and parallel performance can change
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2025-05-27 01:15:18 -04:00 |
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6a5ed2af4b
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add renieigbor option to fix set
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2025-05-26 16:22:52 -06:00 |
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2e775034f9
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clarify and improve formatting
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2025-05-26 03:03:37 -04:00 |
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1f758bcf8e
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more discussion of items that affect LAMMPS serial and parallel performance
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2025-05-26 02:35:30 -04:00 |
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f8665fdf4e
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add a more explicit warning about using hybrid for many-body potentials
this summarizes advice that has to be given recurringly in the LAMMPS forum
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2025-05-26 01:49:01 -04:00 |
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8181224bca
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discuss in more details factors that affect performance (WIP)
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2025-05-25 05:04:59 -04:00 |
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2436bd4411
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provide some more talking points for comparison of KOKKOS and GPU package
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2025-05-25 05:04:37 -04:00 |
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8d09e440c5
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start documentation for JSON format
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2025-05-24 02:36:46 -04:00 |
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bc07696ce9
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small correction for wildcard expansion
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2025-05-20 21:18:07 -04:00 |
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37a344a2ad
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add example for Python with vector-style variable
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2025-05-20 13:33:36 -06:00 |
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2351418c94
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made collapse_tree() method work correctly in Variable class for Python function wrappers, also added support for vector-style variables to use Python function wrappers
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2025-05-19 21:42:08 -06:00 |
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2744647c75
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Merge pull request #4594 from akohlmey/collected-small-changes
Collected small changes
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2025-05-19 22:13:37 -04:00 |
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b3402eaae8
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Merge pull request #4424 from jtavenner-dev/kmc
add fix neighbor/swap
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2025-05-19 20:57:00 -04:00 |
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ac059a15b0
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added a NOTE
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2025-05-19 14:39:30 -06:00 |
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c3b25c8c27
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updated doc pages and code
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2025-05-19 14:34:22 -06:00 |
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b9b59bd23c
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small clarifications and corrections. Sync with current state of affairs
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2025-05-19 11:31:42 -04:00 |
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2968a62937
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continue refactoring for bio force field and water moldel discussions
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2025-05-17 23:30:18 -04:00 |
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e393b9803b
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add information about the OPC model to the TIP4P howto
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2025-05-17 22:41:42 -04:00 |
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63ee449dc1
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reformulate description of force components
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2025-05-17 21:15:48 -04:00 |
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5fd4d6bb87
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remove directionCorrection and update docs for compute pair/local and compute bond/local
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2025-05-15 23:15:59 -04:00 |
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ef89edc4c6
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Additional edits
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2025-05-09 14:53:27 -06:00 |
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bb62f46404
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Merge branch 'kmc' of https://github.com/jtavenner-dev/lammps into kmc
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2025-05-09 14:27:05 -06:00 |
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17da04f07b
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Cleaned up language errors
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2025-05-09 14:25:08 -06:00 |
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6436cc87b7
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Corrected inconsistent voro-ID compute references and examples
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2025-05-09 14:23:03 -06:00 |
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60fe08c328
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clarify and rewrap
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2025-05-07 15:47:35 -04:00 |
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7c2c9ea286
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add missing versionadded tag
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2025-05-07 02:00:40 -04:00 |
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c0a41bd638
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-05-06 15:06:43 -04:00 |
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c1e9adbd80
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Merge pull request #4574 from talinke/develop
New Fix for GJF Langevin Dynamics
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2025-05-06 13:24:06 -04:00 |
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48df0448df
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spelling
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2025-05-06 12:05:12 -04:00 |
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2d22092078
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additional info for pair style lj/smooth from Aidan
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2025-05-06 12:00:55 -04:00 |
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afcb97aaf2
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address spelling issues
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2025-05-05 20:22:00 -04:00 |
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fbfe1e6a7c
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Merge remote-tracking branch 'github/develop' into collected-small-changes
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2025-05-05 20:13:42 -04:00 |
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a528b88d8a
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Merge branch 'update-docs' of github.com:navlalli/lammps-qtpie into collected-small-changes
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2025-05-05 20:13:23 -04:00 |
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a1cd18e4cf
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Merge pull request #4522 from willzunker/mdr-dev
MDR contact model updates: radius update and damping
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2025-05-05 20:07:36 -04:00 |
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3b17ea5363
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Merge pull request #4556 from Colvars/colvars-update
Update Colvars library to version 2025-04-18
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2025-05-05 20:03:27 -04:00 |
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228cf1e871
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Correct leftover references to vector inputs in docs
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2025-05-03 19:07:01 +02:00 |
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f3adda8d3e
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clean-up code and doc page
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2025-05-02 16:21:41 -06:00 |
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af840176e7
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doc page tweak
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2025-05-02 16:14:55 -06:00 |
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79f6867d7e
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new doc page for fix set command with example
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2025-05-02 16:13:01 -06:00 |
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10077b057c
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Update fix_ave_moments.rst
Emphasized the difference in behavior between this fix and other fix ave/* commands with regards to Nevery, Nrepeat and Nfreq.
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2025-05-02 21:42:33 +02:00 |
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37221c080b
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Add self-citation
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2025-05-02 13:52:17 +01:00 |
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55a13efad0
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small update
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2025-05-02 00:30:22 -04:00 |
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a388bd38ee
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add LAMMPS-GUI screenshot image
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2025-05-02 00:21:41 -04:00 |
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565e7b2c2b
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Add documentation for ave/moments
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2025-05-02 01:20:36 +02:00 |
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e474bfeece
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Merge remote-tracking branch 'github/develop' into atom-style-var-with-python
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2025-05-01 16:03:27 -04:00 |
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9b36c58eb2
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fix spelling and docbuild issues
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2025-05-01 16:03:11 -04:00 |
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