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cf942e7d5f
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may check for MPI library Fortran support only if MPI is enabled
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2022-06-23 15:54:04 -04:00 |
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ae18e1e01c
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Merge pull request #3310 from akohlmey/next_patch_release
Update version strings for the next patch release
patch_23Jun2022
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2022-06-22 16:26:46 -04:00 |
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ad35bbcb65
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Merge pull request #3309 from akohlmey/collected-small-fixes
More fixes and small changes for the stable release
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2022-06-22 15:16:01 -04:00 |
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1099199e93
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remove any remap related documentation. add paragraph about file compatibility
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2022-06-22 14:22:23 -04:00 |
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c5999df303
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remove dead code and silence compiler warning about it
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2022-06-22 10:32:03 -04:00 |
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9b8c19c1a5
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correct docs about how to get synchronized timings
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2022-06-22 10:24:56 -04:00 |
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2fb3608462
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update/correct contact info
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2022-06-22 07:06:16 -04:00 |
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37f056c455
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get array and vector sizes from the avaiable APIs
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2022-06-22 07:06:00 -04:00 |
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49331be33e
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simplify
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2022-06-22 07:05:30 -04:00 |
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3f6add4c40
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Merge branch 'fortran2_updates' of github.com:hammondkd/lammps into collected-small-fixes
# Conflicts:
# examples/COUPLE/fortran2/LAMMPS-wrapper.cpp
# examples/COUPLE/fortran2/LAMMPS-wrapper.h
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2022-06-22 06:41:37 -04:00 |
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c0b109f715
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Fixed some typos and updated e-mail addresses in examples/COUPLE/fortran2
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2022-06-21 20:53:45 -05:00 |
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b0c673d856
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updates from Karl Hammond to adjust his email and correct an error message
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2022-06-21 20:37:20 -04:00 |
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b0f4ef8a39
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update docs for noremap option to read_restart
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2022-06-21 20:19:13 -04:00 |
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7d49ad5924
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enable remap for restarting by default, add noremap option
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2022-06-21 19:42:17 -04:00 |
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6815b27cd5
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step version strings for the next patch release
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2022-06-21 08:52:11 -04:00 |
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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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ec46510d2e
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add local extract_compute() tests
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2022-06-20 23:07:01 -04:00 |
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033af0c507
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add unit test for extracting local vector and array via numpy
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2022-06-20 18:48:50 -04:00 |
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78129f9078
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update embedded docs for LMP_SIZE_VECTOR update for extract_compute()
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2022-06-20 18:23:20 -04:00 |
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ac615059a7
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update some linewraps for 100 col limit
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2022-06-20 18:15:02 -04:00 |
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ffc5b12c5f
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correct handling data of local computes which always needs to check rows and cols
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2022-06-20 18:10:57 -04:00 |
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3828c857f7
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accept LMP_SIZE_VECTOR as alias for LMP_SIZE_ROWS with local computes
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2022-06-20 18:10:19 -04:00 |
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063fc47f64
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tweak to avoid test failure on FreeBSD
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2022-06-19 06:38:14 -04:00 |
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f831a776be
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correct python example
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2022-06-18 22:25:32 -04:00 |
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b46773e398
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add support for writing a dump file footer
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2022-06-17 15:53:04 -04:00 |
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fe1feb58d8
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Merge pull request #3306 from akohlmey/makewheel-fix
Fix issues with building a wheel file during 'make install-python'
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2022-06-17 11:58:18 -04:00 |
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deac9f05b1
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move the created wheel to the build folder at the end
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2022-06-17 08:05:28 -04:00 |
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18f9e5836b
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support installing the built wheel into virtual environment, if active
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2022-06-17 06:52:25 -04:00 |
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21b3020a97
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make the "makewheel.py" script independent from the activate_this.py script
The "activate_this.py" script only seems to be included in virtualenv,
but not venv. Now we implement its effect directly.
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2022-06-17 00:10:06 -04:00 |
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dd3aab0c66
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Merge pull request #3300 from lammps/doc-package-update
Update package affiliation for Zhen Li
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2022-06-16 18:04:45 -04:00 |
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58152cdc68
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Merge pull request #3304 from lammps/dependabot/github_actions/actions/cache-3
Bump actions/cache from 2 to 3
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2022-06-16 17:48:30 -04:00 |
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04bb611bf2
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Merge pull request #3303 from lammps/dependabot/github_actions/actions/setup-python-4
Bump actions/setup-python from 2 to 4
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2022-06-16 17:21:53 -04:00 |
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2fc0a44ab2
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Bump actions/cache from 2 to 3
Bumps [actions/cache](https://github.com/actions/cache) from 2 to 3.
- [Release notes](https://github.com/actions/cache/releases)
- [Changelog](https://github.com/actions/cache/blob/main/RELEASES.md)
- [Commits](https://github.com/actions/cache/compare/v2...v3)
---
updated-dependencies:
- dependency-name: actions/cache
dependency-type: direct:production
update-type: version-update:semver-major
...
Signed-off-by: dependabot[bot] <support@github.com>
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2022-06-16 19:41:23 +00:00 |
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ba4cbf7055
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Bump actions/setup-python from 2 to 4
Bumps [actions/setup-python](https://github.com/actions/setup-python) from 2 to 4.
- [Release notes](https://github.com/actions/setup-python/releases)
- [Commits](https://github.com/actions/setup-python/compare/v2...v4)
---
updated-dependencies:
- dependency-name: actions/setup-python
dependency-type: direct:production
update-type: version-update:semver-major
...
Signed-off-by: dependabot[bot] <support@github.com>
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2022-06-16 19:41:20 +00:00 |
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f75115d801
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Merge pull request #3301 from turrisxyz/Dependabot-GitHub-Actions
Included githubactions in the dependabot config
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2022-06-16 15:40:59 -04:00 |
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0a5d921f3f
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update affiliation in source code as well
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2022-06-16 15:37:55 -04:00 |
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cdc0b48a0b
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chore: Included githubactions in the dependabot config
This should help with keeping the GitHub actions updated on new releases. This will also help with keeping it secure.
Dependabot helps in keeping the supply chain secure https://docs.github.com/en/code-security/dependabot
GitHub actions up to date https://docs.github.com/en/code-security/dependabot/working-with-dependabot/keeping-your-actions-up-to-date-with-dependabot
https://github.com/ossf/scorecard/blob/main/docs/checks.md#dependency-update-tool
Signed-off-by: naveen <172697+naveensrinivasan@users.noreply.github.com>
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2022-06-16 01:33:01 +00:00 |
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9840aad703
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Merge pull request #3299 from akohlmey/fix-codeql-workflow
Update GitHub workflow files
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2022-06-15 10:49:58 -04:00 |
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1403a0dd94
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update affilication for Zhen Li
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2022-06-15 08:22:59 -06:00 |
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9842879db1
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fix typos
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2022-06-15 08:14:53 -04:00 |
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03c0b4ae27
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upgrade action versions
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2022-06-14 19:08:28 -04:00 |
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728e4a5910
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add permissions for codeql action
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2022-06-14 19:08:01 -04:00 |
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cfe5025495
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Merge pull request #3296 from akohlmey/collected-small-changes
Collected small changes for the next release
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2022-06-14 18:18:28 -04:00 |
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927287e3e5
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fixes from clang-tidy
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2022-06-14 14:06:11 -04:00 |
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35a48f273b
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rename local variable shadowing a global one
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2022-06-14 10:45:31 -04:00 |
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2028c68bec
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remove unused imports
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2022-06-14 10:45:05 -04:00 |
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6abb316dba
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avoid resource leak
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2022-06-14 10:36:21 -04:00 |
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7a64d1358e
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remove unused module
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2022-06-14 10:36:11 -04:00 |
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26dcb649bb
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remove redundant check
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2022-06-13 22:10:51 -04:00 |
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423c511d7a
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use explicit scoping in destructor
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2022-06-13 22:10:43 -04:00 |
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