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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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111caac960
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remove references to Numeric module. we only support numpy.
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2022-08-09 16:11:09 -04:00 |
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a9829b1e5f
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enforce null termination of read string
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2022-08-05 04:27:58 -04:00 |
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2b126a00b1
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update Pizza.py URLs
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2022-07-29 19:23:23 -04:00 |
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0dc9b31620
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import updated version of tinker2lmp from @sjplimp. fix whitespace.
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2022-07-29 19:11:25 -04:00 |
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a393569083
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Merge pull request #3343 from yskmiyazaki/style-sdk-update
Change package name CG-SDK to CG-SPICA and add a function type LJ12-5 to the package
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2022-07-15 14:54:41 -04:00 |
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c817a495e7
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tweak README files
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2022-07-11 09:44:23 -06:00 |
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b5e70ebc81
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added a FF name SPICA to tools/kate/lammps.xml and tools/moltemplate/README.txt
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2022-07-08 18:23:10 +09:00 |
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212048d4cc
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modernize tinker2lmp scripts so they run with both python2.7 and python3.x
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2022-07-05 08:09:24 -04:00 |
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1817b12332
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Merge branch 'develop' into amoeba
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2022-06-24 17:01:46 -06:00 |
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ad20e54638
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fix typos
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2022-06-20 23:19:00 -04:00 |
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68a9db0950
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fix typos
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2022-06-08 17:07:08 -04:00 |
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