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4a48ce76b8
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 11:34:16 -04:00 |
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c6bc21febf
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Merge pull request #2361 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-09-15 11:28:25 -04:00 |
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b20b234ebe
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-15 10:45:28 -04:00 |
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4b64be77e0
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consolidate memory allocation information into a single function (in Info)
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2020-09-15 01:59:58 -04:00 |
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df9f0e244b
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add false positive
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2020-09-14 17:18:14 -04:00 |
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5634dd4394
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correct formatting of examples
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2020-09-14 17:15:53 -04:00 |
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b1e0990c46
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update lammps config settings calls example
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2020-09-14 17:11:27 -04:00 |
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f70717710e
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fix for zstd support. add styles to list at top and document .zst extension requirement
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2020-09-14 17:07:09 -04:00 |
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a1b2f82107
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test for exceptions add example
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2020-09-14 17:01:28 -04:00 |
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50b80e078d
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Merge pull request #2354 from stanmoore1/qeq_refactor
small fix qeq/reax refactoring for base and accelerated variants
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2020-09-14 12:18:32 -04:00 |
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a5740d75cf
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add missing option
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2020-09-14 09:27:49 -04:00 |
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de49325c0f
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add properties example
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2020-09-13 17:00:08 -04:00 |
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b702298e83
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fix typo
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2020-09-12 19:06:58 -04:00 |
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da0cdb0de4
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update formatting of keyword summary
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2020-09-12 19:06:30 -04:00 |
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eda04dac98
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update conventions and guidelines about C++ standard and requirements
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2020-09-12 15:13:23 -04:00 |
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4a8d6016e4
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Update docs
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2020-09-11 22:49:44 -06:00 |
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612f1d7ce3
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fix typo
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2020-09-11 17:49:06 -04:00 |
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7b869e8ee8
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Start with more detailed description of PyLammps
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2020-09-11 17:09:38 -04:00 |
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97000fa016
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Merge remote-tracking branch 'origin/master' into python_interface_guide
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2020-09-11 09:48:28 -04:00 |
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ded57ba749
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move test to avoid issues with indentation from having tabs follow directly a list-table
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2020-09-10 16:16:58 -04:00 |
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4452109b60
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address spelling issue
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2020-09-10 16:15:03 -04:00 |
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0d5f68bc30
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make "new in" and "changed in" leads boldface
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2020-09-10 16:14:53 -04:00 |
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3d37fd05f4
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disable caching - for now - to avoid bad side effects from sphinx-tabs
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2020-09-10 16:14:18 -04:00 |
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bd72ef7996
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add API to library/python interface to extract the MPI communicator
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2020-09-09 22:03:11 -04:00 |
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85c394453c
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Update Colvars to version 2020-07-07
This update contains several fixes and small new features or usability
improvements. Descriptions and authorship information can be accessed from
the pull requests listed below.
Skip the zero-step also when multiple run commands are executed in sequence (@giacomofiorin)
https://github.com/Colvars/colvars/pull/357
Do not accumulate data at step 0 (@giacomofiorin)
https://github.com/Colvars/colvars/pull/345
Support for symmetry permutations of atoms in RMSD (@jhenin)
https://github.com/Colvars/colvars/pull/344
Detect new grid parameters (@jhenin)
https://github.com/Colvars/colvars/pull/341
Only access the output streams in non-threaded regions (@giacomofiorin)
https://github.com/Colvars/colvars/pull/338
Fix incomplete setting of default colvarsRestartFrequency (@giacomofiorin)
https://github.com/Colvars/colvars/pull/334
Fix typo (@e-kwsm)
https://github.com/Colvars/colvars/pull/333
Convert the input keyword to lowercase in read_state_data_key (@HanatoK)
https://github.com/Colvars/colvars/pull/332
Implement reflecting b.c. for ext Lagrangian (@jhenin)
https://github.com/Colvars/colvars/pull/329
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2020-09-09 18:19:21 -04:00 |
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ed14793c69
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moved eigensolver documentation into pg_dev_utils.rst
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2020-09-09 14:59:00 -07:00 |
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3bacf97468
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Merge branch 'master' into math_eigen
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2020-09-09 14:56:28 -07:00 |
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cdd9d693ad
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Merge pull request #2349 from akohlmey/more-progguide-updates
More Programmer docs updates and related code refactoring
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2020-09-09 14:34:41 -04:00 |
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03d43bda3c
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make "New in" and "Changed in" statements boldface to stand out more
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2020-09-09 09:25:58 -04:00 |
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c818a00523
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remove unwanted docs
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2020-09-08 16:53:26 -04:00 |
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ea0a9f00e8
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swap order of classes in toctree
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2020-09-08 16:45:16 -04:00 |
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daf8a2313a
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split developer guide into multiple files
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2020-09-08 16:38:06 -04:00 |
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9f7e309f07
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small updates to MyPage and convert MyPoolChunk similar to MyPage
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2020-09-08 15:13:16 -04:00 |
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f72e5b6d13
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Typo
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2020-09-08 12:52:32 -06:00 |
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b008ba5ecb
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Merge remote-tracking branch 'origin/master' into cmake_clean_up
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2020-09-08 12:51:49 -06:00 |
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22fac9affc
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more doc update
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2020-09-08 09:49:07 -06:00 |
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8fb13f4fd1
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cmake: make doc more consistent
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2020-09-08 09:43:21 -06:00 |
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5df3deb8e6
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update/refactor a few more build documentation files for using tabs
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2020-09-08 11:40:21 -04:00 |
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88cc673f78
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more use of tabs in Build_extras.rst
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2020-09-08 10:11:37 -04:00 |
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dd20776915
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fix spelling issues
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2020-09-07 21:17:56 -04:00 |
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9b01d5bf95
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revise and add tabs to some sections
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2020-09-07 21:08:47 -04:00 |
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f02db43f63
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add discussion and minimal code example for MyPage class.
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2020-09-07 16:10:48 -04:00 |
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0447616aaf
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address spelling issues
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2020-09-07 08:03:41 -04:00 |
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f329d56495
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updated pg_developer.rst
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2020-09-06 20:12:38 -07:00 |
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a57a1404f3
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bug fix fix unit tests, improve doc readability, and to prevent accidentally allocating memory on the heap. (Note: All of these changes are related to "jacobi3()". That function instantiates Jacobi without allocating memory on the heap, and this created some headaches. The original code at https://github/jewettaij/jacobi_pd does not have this feature, and the unit tests there do not test for these kinds of errors. Hopefully this commit fixes everything.)
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2020-09-06 20:05:47 -07:00 |
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4ca36d9526
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add doxygen docs and convert MyPage template class from header only to header plus implementation
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2020-09-06 22:26:17 -04:00 |
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485a169ef2
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move merge sort to utils namespace
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2020-09-06 17:38:53 -04:00 |
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19ce59ba38
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use tabs for CMake vs. GNU make in LAMMPS library linking page
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2020-09-06 16:50:28 -04:00 |
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d77f08d5fb
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tweak formatting to look better in the PDF file
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2020-09-06 16:49:58 -04:00 |
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eb6f7f9740
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Merge branch 'master' into math_eigen
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2020-09-06 10:59:20 -07:00 |
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