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bdbbe00ec7
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Merge branch 'master' into feature-cnt
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2020-03-06 18:41:38 -05:00 |
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ddc36973f0
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final reference info
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2020-03-06 14:55:52 +01:00 |
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a70aac2f24
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Merge pull request #74 from lammps/master
rebase
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2020-03-05 22:49:41 -07:00 |
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21f2ec3a25
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Merge branch 'master' into bond/react-new-examples-and-package
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2020-03-05 20:08:19 -07:00 |
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8c48a27c1d
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fix another display issue in pair style srp docs
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2020-03-05 15:39:13 -05:00 |
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c38380afc2
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bugfix and small tweak for pair style srp docs
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2020-03-05 15:36:15 -05:00 |
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1fb54c307c
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Merge pull request #1918 from akohlmey/collected-small-fixes
Collected small fixes for the next patch
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2020-03-05 15:16:50 -05:00 |
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606eaf61f7
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Merge branch 'master' into fix_numerical_differentiation
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2020-03-05 09:58:50 -07:00 |
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fb3a8f5bb1
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Merge pull request #1909 from giacomofiorin/colvars-update
Update Colvars to version 2020-02-27
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2020-03-05 10:18:01 -05:00 |
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ae045e4445
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indented note block in fix_num_diff.rst
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2020-03-04 19:48:12 -07:00 |
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be138d368e
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Merge branch 'master' into fix_numerical_differentiation
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2020-03-04 19:11:39 -07:00 |
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968f44601c
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Updated doc page with delta info and simplified example
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2020-03-04 19:08:57 -07:00 |
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6786efa224
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Merge commit 'refs/pull/1916/head' of github.com:lammps/lammps into collected-small-fixes
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2020-03-04 17:04:45 -05:00 |
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14d17b3513
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clean the superfluous newline
I believe this newline in the document is superfluous.
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2020-03-04 16:41:27 -05:00 |
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7bbf070757
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document new C++ and CMake requirements in manual
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2020-03-04 14:37:51 -05:00 |
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e9544218e6
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some corrections to the building the manual documentation
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2020-03-04 14:14:12 -05:00 |
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21f278f47f
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Merge branch 'master' of github.com:lammps/lammps into kk_compute_orientorder_atom
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2020-03-04 09:08:53 -07:00 |
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7d598ba8d7
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synchronize list of hardware architectures supported by KOKKOS with list in cmake file
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2020-03-03 03:33:23 -05:00 |
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a4a5d24a69
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add link to github support for subversion clients
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2020-03-03 03:19:25 -05:00 |
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9339bb085f
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Update molecule.rst
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2020-03-02 01:06:42 -07:00 |
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8f608f6a35
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lo-level -> low-level
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2020-03-01 10:30:06 -05:00 |
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ff614957c6
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encode some more mathematical expressions and symbols
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2020-03-01 09:25:20 -05:00 |
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2455e35fd8
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typeset mixing rules with embedded math
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2020-03-01 08:51:29 -05:00 |
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8662733dcd
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convert the remainder of raw html typesetting in pair style smtbq
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2020-02-29 14:45:39 -05:00 |
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228a0bfa2e
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replace hi- with high-
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2020-02-29 11:37:47 -05:00 |
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6f47f110f1
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use k_B consistently, fix some more math. convert some transcriptions to math
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2020-02-29 11:37:31 -05:00 |
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07fc624509
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typeset reduced units
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2020-02-29 06:41:28 -05:00 |
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66a0e27edf
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some more cases where we can use embedded math
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2020-02-29 04:57:44 -05:00 |
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e6c9efe6bf
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convert lists to tables for more compact presentation
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2020-02-28 18:52:13 +01:00 |
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f02b2485fa
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tweak command overview table width so it is readable in PDF
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2020-02-28 18:51:52 +01:00 |
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71c11c32e3
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replace more raw html code and add syntax highlighting
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2020-02-28 18:00:43 +01:00 |
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19d334908b
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replace raw html with embedded math expressions and fix related issues
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2020-02-28 17:39:57 +01:00 |
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7be004512f
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Update Colvars to version 2020-02-27
This update contains several small new features or usability improvements.
Descriptions and authorship information can be accessed from the pull
requests listed below.
Allow setting sigma parameter directly for metadynamics
https://github.com/Colvars/colvars/pull/325
Remove default values for lowerWall and upperWall legacy keywords
https://github.com/Colvars/colvars/pull/324
biasActualColvar option to bypass extended-Lagragian for a bias
https://github.com/Colvars/colvars/pull/321
Flexible restart-reading
https://github.com/Colvars/colvars/pull/320
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2020-02-27 19:55:31 -05:00 |
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03985454ed
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some more formatting and math conversion improvements
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2020-02-27 18:18:49 -05:00 |
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6e7e365981
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Merge pull request #1888 from lammps/release-preparation
Documentation and Build script and Info updates for stable release
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2020-02-27 13:23:08 -05:00 |
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3c277409c2
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switch parsed-literal to code-block in Howto files where applicable
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2020-02-27 12:45:14 -05:00 |
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67bfda532f
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mods to fix numdiff
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2020-02-27 09:52:23 -07:00 |
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eb8531062c
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Merge branch 'doc-updates' of github.com:rbberger/lammps into release-preparation
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2020-02-27 11:26:15 -05:00 |
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25ec8d36a8
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Final batch of index cleanup and code-blocks
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2020-02-27 11:08:04 -05:00 |
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1bb38ed09b
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Merge commit 'refs/pull/1903/head' of github.com:lammps/lammps into release-preparation
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2020-02-27 01:15:17 -05:00 |
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fe1ac99ae7
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bond/react: docs tweak
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2020-02-26 20:08:58 -07:00 |
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9ef5949798
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Second batch of index cleanup and code-blocks
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2020-02-26 16:31:05 -05:00 |
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3563d2f10d
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remove references to html-offline and only produce the offline viewable html manual
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2020-02-26 16:01:03 -05:00 |
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7bd3215226
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Merge pull request #1894 from stanmoore1/kk_snap_chunk
Make Kokkos pair SNAP chunksize variable user-settable
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2020-02-26 15:27:37 -05:00 |
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a828facbd8
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Merge pull request #1900 from akohlmey/couple-lammps-plugin
Example for loading LAMMPS as a plugin from a shared library
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2020-02-26 10:40:24 -05:00 |
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c92378eaca
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add explanation of use of group2 and document effect of compute group
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2020-02-26 13:12:14 +01:00 |
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13bff07606
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Added documentation, added an example, avoided position round off, added in compute_pe's compute_scalar, now fix produces per-atom array instead of global array
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2020-02-25 15:32:37 -07:00 |
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8e1928aa65
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First batch of index cleanup and code-blocks
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2020-02-25 14:46:22 -05:00 |
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e87b3a21c2
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complete documentation for LAMMPS plugin coupling example
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2020-02-25 14:10:55 -05:00 |
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1fc4dc151f
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typo
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2020-02-25 18:11:31 +01:00 |
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