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5d34cc624d
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temporarily disable highlighting a line
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2023-07-25 13:06:52 -04:00 |
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ab792acbe5
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catch errors via library interface and present dialog displaying them
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2023-07-25 13:06:27 -04:00 |
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7eb2afa994
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integrate syntax highlight code from example (uses c++ syntax currently)
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2023-07-25 12:20:48 -04:00 |
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5da462670f
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add menu hotkeys and shortcuts
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2023-07-25 12:19:10 -04:00 |
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5d1251df27
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properly canonicalize filename
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2023-07-25 12:18:47 -04:00 |
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4fd648c11e
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add copyright message
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2023-07-25 12:18:00 -04:00 |
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a402d2c6d8
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simplify, move redundant operations to functions, update coding style
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2023-07-25 10:16:20 -04:00 |
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908e925b8f
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add minimal about dialogs
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2023-07-25 00:39:47 -04:00 |
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a49a1b644e
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update main widget to CodeEditor with line numbers and highlight. Open file from command line.
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2023-07-25 00:13:53 -04:00 |
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b87ced52b4
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first minimal stab at LAMMPS GUI
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2023-07-24 19:07:33 -04:00 |
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66403c93ad
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add preset and support for building serial multi-arch macOS executables
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2023-07-18 18:55:27 -04:00 |
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baac049aed
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update LAMMPS input file syntax highlighting for recent changes
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2023-07-15 12:25:03 -04:00 |
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378ef4b23e
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require CMake version 3.16
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2023-06-30 22:59:41 -04:00 |
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62b388b48f
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consolidate LAMMPS data type constants and enums and use the same names
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2023-06-10 19:23:11 -04:00 |
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ce38bb988d
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add lammps_last_thermo support to swig, plugin and fortran interface
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2023-06-08 19:12:59 -04:00 |
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8ddac8cf02
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search through the python folders recursive to detect all pending version tags
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2023-06-08 12:46:41 -04:00 |
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f015aaff84
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compile time compatibility with swig 4.1
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2023-05-10 16:54:05 -04:00 |
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2542a7e840
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avoid integer overflow
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2023-05-03 00:39:59 -04:00 |
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89d59fad61
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Merge branch 'develop' into collected-small-fixes
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2023-05-02 20:47:33 -04:00 |
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81523b7ba3
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Merge branch 'patch-2' of github.com:srtee/lammps into collected-small-fixes
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2023-05-02 17:42:02 -04:00 |
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a8dcb3987a
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silence compiler warning
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2023-05-02 17:29:06 -04:00 |
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7b5fecfad7
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make phana installation in LAMMPS compatible with ubuntu 18.04LTS
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2023-05-02 17:24:38 -04:00 |
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8ca1e2d417
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add OpenMP suppression for GNU 13 compilers
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2023-05-02 11:50:15 -04:00 |
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39a77064e0
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update so it can be built either standalone or as subdir with LAMMPS
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2023-05-01 20:14:52 -04:00 |
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478058119b
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integrate CMake build procedure for tools/phonon
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2023-05-01 20:14:52 -04:00 |
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8d6c3a7536
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Fix Markdown table in tools/tabulate/README.md
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2023-04-28 14:50:09 +10:00 |
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9f11cac393
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updated apptainer build definitions for almalinux 8/9
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2023-04-24 20:41:06 -04:00 |
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3950765e8f
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Add missing hipfft-dev to ROCm containers
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2023-04-06 22:44:07 -06:00 |
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ea7e75798d
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include an additional latex package and an nsis plugin for building everything
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2023-03-29 11:58:05 -04:00 |
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ecc6269648
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add useful comments
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2023-03-20 10:52:20 -04:00 |
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9f22974209
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Merge branch 'develop' of github.com:agiliopadua/lammps into collected-small-changes
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2023-03-20 10:50:05 -04:00 |
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3280d6b786
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Fixed bug in fep tools
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2023-03-20 14:47:40 +01:00 |
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a320f24247
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Fixed bug in fep tools
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2023-03-20 14:46:01 +01:00 |
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57e86346a6
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fix bug where floating point data was formatted as integer since the second column was assumed to be the type
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2023-03-19 18:20:31 -04:00 |
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21293f1c08
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update links and hashes for new plumed2 releases
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2023-03-13 12:10:41 -04:00 |
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2b6c2e07a4
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add -help flag and help message output. step version number. update docs.
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2023-03-10 21:26:40 -05:00 |
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80233f353f
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port UTF-8 to ASCII substitution to msi2lmp and apply to reading .frc files
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2023-03-10 20:56:55 -05:00 |
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2dad2586f1
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update help message
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2023-03-10 20:16:39 -05:00 |
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fc4ca0503e
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make --rdffile, --units, and --temperature required arguments
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2023-03-03 20:51:28 -05:00 |
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c3c6c5f154
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python2 compatibility (or rather scipy of python2) and avoid NaNs
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2023-03-03 20:50:56 -05:00 |
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e4b1a33ced
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Corrected error in temperature argument managment, added unit as a
command-line parameter
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2023-03-03 15:32:46 +01:00 |
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eb750f0217
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Adde temperature for BI as a command-line argument
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2023-03-03 15:22:49 +01:00 |
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4612cd94f0
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Removed bits of useless force computation.
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2023-03-03 15:12:27 +01:00 |
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67d4893f6e
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Added Warning section to pair_bi_tabulate.py file.
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2023-03-03 15:10:36 +01:00 |
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ed11cbd2c7
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Updated tools/tabulate/README.md file to include pair_bi_tabulate.py
|
2023-03-03 15:04:46 +01:00 |
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f23c2494ea
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Created tool file tools/tabulate/pair_bi_tabulate.py
|
2023-03-03 14:49:38 +01:00 |
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d44ba14030
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Merge pull request #3657 from akohlmey/custom-wall-fixes
Add fix wall/table and fix wall/lepton for customizable wall fixes
|
2023-03-01 20:16:56 -05:00 |
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2e5bc2f6b7
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add test example for validating custom potentials
|
2023-02-23 01:09:44 -05:00 |
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ec87c71064
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add documentation for fix wall/lepton, fix wall/table and WallTabulate()
|
2023-02-23 00:35:25 -05:00 |
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0dcb591ee8
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add support to create tables for fix wall/table
|
2023-02-22 23:31:04 -05:00 |
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