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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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694b1b5748
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remove Fortran library based MESONT styles and the library itself
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2023-01-20 19:12:42 -05:00 |
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882f155d94
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whitespace
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2023-01-13 14:51:40 -05:00 |
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32347792ad
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follow the usual convention and call dihedral angle phi
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2023-01-05 23:00:33 -05:00 |
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6ccdc8df4f
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include force function in angle table example to show the need for correct unit conversion (force is energy per radian squared)
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2023-01-05 23:00:27 -05:00 |
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18d07883c3
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python 2 compatibility
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2022-12-19 12:13:40 -05:00 |
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bc8812c391
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add one more tabulation example showing how to smoothly replace part of a function in a different potential
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2022-12-19 12:13:25 -05:00 |
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111faa758d
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Merge branch 'develop' into collected-small-changes
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2022-12-16 18:25:12 -05:00 |
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8998ef23de
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update docs for tools/tabulate scripts
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2022-12-16 02:49:39 -05:00 |
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2de997b52d
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import tabulate scripts for table files
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2022-12-16 01:11:52 -05:00 |
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bded6b7fd0
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update OpenMP suppressions for clang 15.0
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2022-12-15 16:27:00 -05:00 |
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e9ec915e45
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document removal of "box" command.
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2022-11-21 17:59:29 -05:00 |
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401b5cee6d
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add -y flag to add-repository commands to avoid issues with GPG support changes
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2022-11-07 07:32:08 -05:00 |
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f9a004c752
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synchronize comments and update formatting
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2022-11-01 06:29:58 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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3c4b0a0c04
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expand homepage checker tool to check a few more folders and apply updates
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2022-10-24 10:58:39 -04:00 |
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1e2ffe6cb7
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must bootstrap centos 7 from dockerhub now
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2022-10-22 22:58:16 -04:00 |
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7aea2b8840
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update Plumed download to version 2.8.1
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2022-10-22 22:57:53 -04:00 |
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b26716c44c
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a few more updates
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2022-10-20 23:11:45 -04:00 |
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df92e5f228
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add one more folder to check
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2022-10-20 23:11:18 -04:00 |
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92f5c5efa1
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check and convert a few more folders and files
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2022-10-20 21:04:07 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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0af2f153de
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check for and replace *really* old LAMMPS home page URL. apply fixes.
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2022-10-20 20:07:12 -04:00 |
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9685689ca6
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check for and replace *really* old LAMMPS home page URL. apply fixes.
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2022-10-20 18:05:55 -04:00 |
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05cf15b766
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include clang-format
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2022-10-12 12:31:43 -04:00 |
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bc6e42a610
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add more extensive whitespace checking for fortran and unittests
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2022-10-04 04:11:39 -04:00 |
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f474b67c7c
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update swig interface file for recent changes to the library interface
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2022-10-03 09:22:02 -04:00 |
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7238a29cb7
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improve version tag regexp to match cases with leading blanks
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2022-09-26 20:39:46 -04:00 |
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51624fa78d
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whitespace
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2022-09-25 03:55:45 -04:00 |
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3a95a7b973
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add utility to detect pending version tags in .. versionadded/changed::
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2022-09-25 03:51:54 -04:00 |
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c235cbee71
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sync with lammps-testing and update plumed version consistently.
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2022-09-11 01:07:22 -04:00 |
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e9f0f371b8
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update prompt variable
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2022-09-10 21:05:02 -04:00 |
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b86232ac5b
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add container definition for almalinux 9
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2022-09-10 21:00:14 -04:00 |
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f6dc6ca6e2
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make certain there is a blank between Dihedral Coeffs an the type hint
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2022-09-06 22:23:38 -04:00 |
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04224e2b53
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use sys.path.insert() instead of sys.path.append() to avoid conflicts with other python packages
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2022-08-25 07:25:13 -04:00 |
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f5870fdd7d
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fix syntax error
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2022-08-23 09:41:56 -04:00 |
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f18b96e517
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handle dump files with extra UNITS or TIME info
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2022-08-21 14:01:41 -04:00 |
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1f37087156
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python 2/3 portability changes for log class from Pizza.py
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2022-08-20 22:03:30 -04:00 |
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057dff375c
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add unit test for Pizza.py modules
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2022-08-20 21:59:24 -04:00 |
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d3101898f1
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more python 2/3 porting for using compile()/eval()/exec()
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2022-08-20 11:06:02 -04:00 |
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bd5dea0d07
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allow selecting a list of timesteps. avoid redundant code
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2022-08-20 10:26:48 -04:00 |
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77ad9719b3
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apply suggestions from @rbberger for more readable code
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2022-08-20 10:25:35 -04:00 |
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20f7e8dcb5
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add change suggested by @hammondkd
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2022-08-19 11:26:45 -04:00 |
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cec1a197a4
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Merge branch 'develop' into collected-small-changes
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2022-08-19 11:24:58 -04:00 |
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1e5ca42dfa
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small update
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2022-08-18 21:48:09 -04:00 |
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7b9b056c98
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make dump.py files consistent and improve python 2/3 portability
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2022-08-18 06:34:49 -04:00 |
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93c7dab931
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Fixed filetype.vim
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2022-08-17 14:08:38 -07:00 |
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7879a4f837
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Fix vim syntax to handle switching color themes
- filetype.vim includes *.in files as lammps input files
- syntax.vim defines the syntax links rather than just creating them
once
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2022-08-17 12:03:10 -07:00 |
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c869a7aac2
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update OpenMP suppressions for gcc-12
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2022-08-11 23:36:25 -04:00 |
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c8b6b052fc
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port sorting by time to python 3 while retaining compatibility with 2.7
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2022-08-09 16:51:48 -04:00 |
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