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f1ad4ed66b
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update the internal timeout clock across replica when we stop parallel tempering
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2020-02-23 05:09:25 -05:00 |
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c3fc680ccd
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apply timeout bugfix to temper variants in USER-MISC
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2020-02-23 05:04:21 -05:00 |
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d226f5d02c
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cosmetic changes
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2020-02-23 05:03:50 -05:00 |
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31165082c1
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change pseudo external link to internal link. provide links to the command subpages
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2020-02-22 18:41:36 -05:00 |
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35483a95cd
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temper timeout synchronization fix
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2020-02-22 23:39:59 +00:00 |
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ac639fe629
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replace parsed-literal with code-block where applicable. improve typesetting
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2020-02-22 13:50:35 -05:00 |
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cdf795652a
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fix typesetting issues
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2020-02-22 13:50:15 -05:00 |
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ca650ba43f
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add some missing dependencies
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2020-02-22 13:49:57 -05:00 |
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6b79b1f978
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use table_from_list in Packages_details and check for completenes there, too
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2020-02-22 13:25:21 -05:00 |
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b1757bb26c
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make names/lables more consistent and avoid reference errors in sphinx
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2020-02-22 13:24:23 -05:00 |
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e8d1288527
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added script to check for missing packages in package tables in manual
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2020-02-22 11:46:31 -05:00 |
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ffabee6ae5
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move logo symlink
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2020-02-22 10:43:58 -05:00 |
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57711f0dcb
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improve layout and logical structure. add references
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2020-02-22 10:39:15 -05:00 |
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44a54324c1
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more typesetting updates
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2020-02-22 07:40:31 -05:00 |
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a915397668
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more code-blocks
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2020-02-22 06:14:52 -05:00 |
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09ef55ac26
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include small logo image in navigation bar. update copyright date
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2020-02-22 06:14:39 -05:00 |
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4ff0279bde
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remove references and docs about using subversion to download LAMMPS
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2020-02-22 05:49:30 -05:00 |
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ff316aa4d0
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replace more parsed-literal with code-block sections
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2020-02-22 05:42:05 -05:00 |
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f9b451de32
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fix spell check
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2020-02-22 04:32:26 -05:00 |
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60cb4416f0
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add ability to build an offline viewable html format manual in html-offline
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2020-02-22 02:27:18 -05:00 |
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09d0df43e2
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Commit JT 022120
- added message for only one precession/spin (+doc)
- added a per pair/spin class emag table
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2020-02-21 17:53:14 -07:00 |
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59ed320bef
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more small improvements and additions
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2020-02-21 16:52:44 -05:00 |
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6b96dedf75
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fix grammar issue
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2020-02-21 16:04:00 -05:00 |
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926dbed70a
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fix spelling issue
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2020-02-21 15:25:55 -05:00 |
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b4c65a645e
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fix some minor style issues
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2020-02-21 15:12:53 -05:00 |
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bf3e7237c3
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replace dir with directory where appropriate
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2020-02-21 15:08:18 -05:00 |
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361f7bb0fd
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Commit JT 022120
- added precession_spin management in compute_spin
- to do: add it for pairs
- make sure users only declare 1 precession/spin
|
2020-02-21 12:07:42 -07:00 |
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c144918441
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fix typo in markup resulting in broken link
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2020-02-21 13:39:31 -05:00 |
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f0e8e3aab8
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small cleanup
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2020-02-21 13:36:15 -05:00 |
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7186b4795b
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remove \begin{equation} \end{equation} which are not needed and break epub
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2020-02-21 13:21:59 -05:00 |
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0ede04be6c
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more build docs refactoring, correcting, and expanding
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2020-02-21 10:40:18 -05:00 |
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404b4cf299
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update and expand the description of building the LAMMPS documentation
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2020-02-21 08:10:30 -05:00 |
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95de4f38c9
|
Edit includes
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2020-02-20 23:35:47 -07:00 |
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f0cf7ba3c0
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First draft of numerical difference fix
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2020-02-20 23:15:53 -07:00 |
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e2f2ec3031
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fix minor grammar issues in colomb pair style docs
|
2020-02-20 18:37:29 -05:00 |
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b9a9bebd37
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delay change_box error check on per-atom restart data existing
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2020-02-20 12:48:44 -07:00 |
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c6b5606c24
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more cosmetic changes and replacing "dirs" with "directories"
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2020-02-20 18:20:00 +01:00 |
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1c8b7022a3
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update documentation for the conventional build
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2020-02-20 17:33:57 +01:00 |
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0db0d5408a
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update instructions for in qmmm README to cover both build systems and include more details
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2020-02-20 16:59:06 +01:00 |
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3298a86bd9
|
Reduce redundant copying using UCL_H_Vec::view
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2020-02-20 18:32:52 +03:00 |
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febb381880
|
updates and corrections to building LAMMPS as a library and using the USER-QMMM package
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2020-02-20 14:58:02 +01:00 |
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5a8eaed13b
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Update handling of USER-QMMM package in CMake scripts. minor cosmetic changes
|
2020-02-20 14:39:53 +01:00 |
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dcd9b7c891
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replace two tables with code-block sections
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2020-02-20 02:12:32 -05:00 |
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a5ab3b13c5
|
cleaner typesetting
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2020-02-19 16:15:35 -05:00 |
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75a43398d9
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replace more "parsed-literal" with "code-block" in build docs
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2020-02-19 16:11:42 -05:00 |
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a9dc629489
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replace non-printable ASCII characters
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2020-02-19 15:34:58 -05:00 |
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aa5b870f7e
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use "code-block" instead of "parsed-literal"
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2020-02-19 15:32:58 -05:00 |
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91ad19754c
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correct, expand, and clarify documentation for linking with LAMMPS as a library
|
2020-02-19 18:14:57 +01:00 |
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94d1aa45bb
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add "make mode=print <machine>" to print out compiler and linker flags and libs for any available makefile
|
2020-02-19 18:11:34 +01:00 |
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8a52e5dbe7
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fix logic error in generic Install.py script when a Makefile.lammps is missing
|
2020-02-19 18:10:32 +01:00 |
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