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36b041a9ae
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Removing EoS update in setup
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2025-01-07 08:50:05 -07:00 |
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b10a5427a1
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Simplifying variable initialization/resetting
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2025-01-07 08:50:01 -07:00 |
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f16aa8e32e
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PIMDB langevin now supposes to support NVE
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2025-01-07 12:13:01 +02:00 |
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c528573b62
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Simplified delta partition logic and commented update check
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2025-01-06 22:37:22 -05:00 |
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14be59d3cc
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Minor spelling errors and input modification
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2025-01-06 19:48:16 -05:00 |
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16f6fe315c
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Restoring deleted character
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2025-01-06 14:06:57 -07:00 |
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09735b29e7
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Adding setup check to MDR submodel
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2025-01-06 13:58:49 -07:00 |
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53084018ae
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Removed uncessary property/atom's: contacts and adhesive_length
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2025-01-06 15:35:34 -05:00 |
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2c655db731
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Cleaned up example mdr input files
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2025-01-06 15:11:57 -05:00 |
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cec242a421
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remove trailing whitespace
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2025-01-06 12:30:45 -07:00 |
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e9057ae5c8
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mdr radius update explaination added to pair_granular.rst
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2025-01-06 14:18:36 -05:00 |
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f07c28a7a1
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Update bosonic_exchange.cpp
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2025-01-06 17:57:27 +02:00 |
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4fa36164cf
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Added bibliographic details to fix_pimdb_nvt.cpp
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2025-01-06 17:51:57 +02:00 |
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fa014649e5
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Filled bibliographic details in fix_pimdb_langevin.cpp
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2025-01-06 17:50:19 +02:00 |
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c9fb27686d
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Fixed an error in the documentation: pimd method only supports physical fmmode, not normal
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2025-01-06 17:26:47 +02:00 |
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c03d15f759
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tiny cr
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2025-01-06 16:17:57 +02:00 |
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1e491dc593
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Merge branch 'develop' of https://github.com/lammps/lammps into bosonic-pimd-langevin
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2025-01-06 16:04:43 +02:00 |
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42a884a14c
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touch docs
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2025-01-06 15:44:23 +02:00 |
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df75830d63
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Added error msgs to fix_granular_mdr.cpp and completed first draft mdr pair_granular.rst
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2025-01-04 20:38:23 -05:00 |
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467ceee9cb
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update patch for WHAM
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2025-01-04 18:18:27 -05:00 |
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d31c040cb9
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Merge branch 'develop' into bond/react-molmap_option
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2025-01-04 18:05:59 -05:00 |
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670447ea21
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correct list of valid reference syntax to computes, fixes, and properties
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2025-01-04 16:22:05 -05:00 |
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119aa59016
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Improving error checks
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2025-01-03 16:47:29 -07:00 |
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2b10fc153b
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Started adding mdr model to pair_granular.rst
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2025-01-03 17:43:38 -05:00 |
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534632a598
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Answered commented questions
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2025-01-03 14:29:14 -05:00 |
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629cb9d0d3
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Small updates and answers for MD
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2025-01-03 10:34:48 -07:00 |
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cd6ab17d36
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Merge pull request #4427 from akohlmey/collected-small-changes
Collected small changes and fixes
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2025-01-03 12:27:43 -05:00 |
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bc30665689
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update unit test for changes in units command error messages
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2025-01-03 04:04:42 -05:00 |
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1fcf1a7c56
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add patch for customization of wham to support LAMMPS units
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2025-01-02 19:39:02 -05:00 |
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f7cea5e428
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improve error messages
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2025-01-02 19:38:10 -05:00 |
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735606a0b5
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document inclusion of WHAM
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2025-01-02 18:03:56 -05:00 |
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d87abc0d01
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correct CMake script code for including WHAM executables in macOS app-bundle
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2025-01-02 17:25:44 -05:00 |
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31963900da
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Providing answers to commented questions
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2025-01-02 16:45:05 -05:00 |
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399d7111d5
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include WHAM software in LAMMPS-GUI compilation
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2025-01-02 00:38:04 -05:00 |
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b86832e72f
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Added checks for non-supported parameters for pimdb/langevin, and updated the documentation accordingly.
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2024-12-30 12:41:42 +02:00 |
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53c91e67a1
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Expanded the documentation of iPy/Tuckerman's convention; made spring_force const; nvt sets mic to true.
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2024-12-30 11:01:37 +02:00 |
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463452e6a0
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README added
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2024-12-29 22:40:05 -08:00 |
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b246599654
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uploaded dated stress output file
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2024-12-29 22:33:24 -08:00 |
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f809aee52f
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uploaded dated plot
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2024-12-29 22:31:35 -08:00 |
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908c2aaf5e
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Merge branch 'develop' into develop
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2024-12-29 20:35:47 -08:00 |
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8b32516b79
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display a valid URL for the download location
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2024-12-29 20:11:59 -05:00 |
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78a897c1bf
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check if a downloaded (solution) file is a symlink placeholder and put a copy of the original in its place
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2024-12-29 17:22:07 -05:00 |
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4d36a84738
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add check whether libcurl support was compiled into LAMMPS and geturl is functional
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2024-12-29 17:22:00 -05:00 |
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9dbb9d356d
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reformulate to avoid command-line
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2024-12-29 12:05:07 -05:00 |
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0bdaece1f0
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add keyboard shortcut and context menu entry for jump to next warning
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2024-12-29 11:35:44 -05:00 |
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f6c0c73289
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improve layout of warnings panel
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2024-12-29 10:48:54 -05:00 |
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7d67bcad22
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compatibility with Qt 5.12 on Ubuntu 20.04LTS
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2024-12-28 22:09:29 -05:00 |
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d70b923c5a
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update tutorial info texts from paper
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2024-12-28 20:34:45 -05:00 |
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73eeda3b1d
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display panel with number or warnings and lines in output window, button for jumping to next warning
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2024-12-28 18:44:44 -05:00 |
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255e50cfc3
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Style changes to gransubmod
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2024-12-28 11:14:05 -07:00 |
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