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566a14f52d
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Pulling
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2025-02-10 17:36:49 +02:00 |
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2c1cd2ed04
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Corrected minor rst syntax errors
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2025-02-10 17:36:00 +02:00 |
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54790d6095
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Added a note about mic and pbc in the documentation of pimdb.
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2025-02-10 17:21:06 +02:00 |
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63b5e46bf0
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Merge branch 'bosonic-pimd-langevin' of https://github.com/yotamfe/lammps into bosonic-pimd-langevin
Conflicts:
src/REPLICA/fix_pimdb_langevin.cpp
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2025-02-10 15:07:25 +02:00 |
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a67f67607c
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Added synch_energies parameters to pimdb/langevin
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2025-02-10 15:05:11 +02:00 |
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d9d24300a4
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add support for ellipsoid regions
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2025-02-10 00:05:42 -05:00 |
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4cab0bfe1a
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implement all open face cases for cylinder regions
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2025-02-09 22:19:03 -05:00 |
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0de9da709c
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add support for moving regions and open faced regions
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2025-02-09 18:25:14 -05:00 |
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05521d38d9
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initialization bug
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2025-02-09 15:26:07 -05:00 |
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6bd2e0e496
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update error messages to use new Error class APIs
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2025-02-09 10:53:03 -05:00 |
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31697bac8d
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correct copy-n-modify omission
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2025-02-09 10:22:55 -05:00 |
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e00e215f99
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add support to prism regions to be exported to VMD
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2025-02-09 10:16:30 -05:00 |
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7cf3ff588e
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include table with impropers in fix_adapt.rst
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2025-02-09 16:54:15 +02:00 |
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d11c8b3e1e
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Update text for improper style in fix_adapt.rst
Update text though a table with the potentials is not included
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2025-02-09 15:08:02 +02:00 |
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fe3c8487de
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implement check_itype in improper_hybrid.cpp
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2025-02-09 14:48:10 +02:00 |
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c0ef702af5
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define chech_itype in improper_hybrid.h
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2025-02-09 14:46:18 +02:00 |
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f7a43b94a6
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fix error: ‘else’ without a previous ‘if’
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2025-02-09 14:39:48 +02:00 |
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e4a16556db
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implement the actual code to adapt improper parameters in fix_adapt.cpp
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2025-02-09 14:26:28 +02:00 |
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5557e03e54
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add hint about setting top molecule in VMD
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2025-02-08 23:26:43 -05:00 |
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3cd028fd01
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refactor command to be more flexible and capable
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2025-02-08 22:52:19 -05:00 |
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f693577262
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add versionadded tag
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2025-02-08 18:30:00 -05:00 |
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0a8e2f923d
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add to .gitignore
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2025-02-08 18:29:27 -05:00 |
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8a87a6068c
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use lighter color "silver"
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2025-02-08 18:23:57 -05:00 |
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c7db4e9e19
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add docs for region2vmd command
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2025-02-08 18:06:32 -05:00 |
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95858bccc6
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add region2vmd command
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2025-02-08 18:06:12 -05:00 |
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8791b29aa2
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give Region2VMD class access to protected members of region style classes
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2025-02-08 18:05:57 -05:00 |
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ea973e1d6c
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Update region.rst
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2025-02-08 20:57:45 +02:00 |
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424c694b6b
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update region.rst
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2025-02-08 20:56:12 +02:00 |
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49b5e89258
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Update unit test in improper-fourier.yaml
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2025-02-08 19:06:08 +02:00 |
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e954bdfc14
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implement extract in improper_fourier.cpp
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2025-02-08 19:04:43 +02:00 |
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2a2a7a3113
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define extract in improper_fourier.h
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2025-02-08 19:01:56 +02:00 |
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66117414dd
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implement extract in improper_amoeba.cpp
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2025-02-08 18:56:38 +02:00 |
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38d28fb426
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define extract for improper amoeba
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2025-02-08 18:55:33 +02:00 |
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098bb4b3c8
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flag development version
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2025-02-08 09:08:43 -05:00 |
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314d0a0e61
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only support Python version 3.6 or later. Update and correct docs and README
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2025-02-08 05:54:26 -05:00 |
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599ff11eb0
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remove compatibility for compiling LAMMPS with Python 2.x and Python 3.5 and older
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2025-02-08 05:05:00 -05:00 |
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792144f12e
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Merge branch 'collected-small-changes' of github.com:akohlmey/lammps into collected-small-changes
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2025-02-07 21:54:58 -05:00 |
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86f7f6da98
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Add check that Python 3 is required
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2025-02-07 21:52:17 -05:00 |
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8a1744c038
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Updates to the instructions for building the manual.
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2025-02-07 21:51:37 -05:00 |
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b188cdc044
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add check for Python version. Require minimum of Python 3.6 (Sphinx requires 3.8)
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2025-02-07 20:51:50 -05:00 |
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6eddb3a33f
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various minor tweaks and reformatting for CMake scripts
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2025-02-07 20:50:14 -05:00 |
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61a2db4715
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revise and expand global README file
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2025-02-07 19:47:05 -05:00 |
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1a636acf81
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simplify / optimize
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2025-02-07 07:34:32 -05:00 |
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d384de354a
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Update unit test in improper-class2.yaml
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2025-02-07 09:31:28 +02:00 |
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26e1b5d101
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implement extract in improper_class2.cpp
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2025-02-07 09:29:41 +02:00 |
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909796b858
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define extract for improper class2
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2025-02-07 09:28:18 +02:00 |
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ab6668031f
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explain some more about transition to C++17
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2025-02-06 20:55:40 -05:00 |
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d22533350a
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update copyright year
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2025-02-06 20:55:23 -05:00 |
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c9f41f9d90
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explain more steps of the release process related to building packages
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2025-02-06 20:55:11 -05:00 |
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a547b9a417
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do not mention rebasing
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2025-02-06 15:00:54 -05:00 |
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