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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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36ec95c2f5
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fixed typo in numdiff example input
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2020-03-05 09:55:25 -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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d0160cc208
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Merge pull request #1915 from akohlmey/cpp-11-cmake-3.10
Require C++11 and CMake 3.10
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2020-03-05 09:14:46 -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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02bdccbae1
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added yyy to false positives
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2020-03-04 19:45:13 -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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ec87a51a61
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put C++11 compliance check into CMake
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2020-03-04 14:52:38 -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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ab51ae854e
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require C++11 to compile LAMMPS
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2020-03-04 14:28:47 -05:00 |
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a972850b39
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require CMake version 3.10. remove tests for older versions.
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2020-03-04 14:28:33 -05:00 |
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6354777d09
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Merge pull request #1914 from akohlmey/next_lammps_version
Step version string for next patch and stable version
patch_3Mar2020
stable_3Mar2020
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2020-03-03 10:27:12 -05:00 |
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3eeb7547b5
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step version string for next patch and stable version
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2020-03-03 07:25:18 -05:00 |
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c5ee78ca1d
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Merge pull request #1910 from akohlmey/documentation-fixes
Some more conversions and corrections for the LAMMPS manual
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2020-03-03 06:25:44 -05:00 |
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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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7f84de17bd
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Merge pull request #1912 from migueldiascosta/epyc_kokkos_arch
add EPYC to KOKKOS_ARCH_LIST
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2020-03-03 03:32:03 -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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0723bf3db7
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setup issues with fix numdiff
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2020-03-02 13:32:05 -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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8765b14377
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add EPYC to KOKKOS_ARCH_LIST
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2020-03-01 13:45:06 +08:00 |
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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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0e58c1b299
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fix issues with restoring box-shifted coords
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2020-02-28 12:55:27 -07:00 |
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aaed572b01
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Merge branch 'fix_numerical_differentiation' of github.com:charlessievers/lammps into charlie
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2020-02-28 12:53:28 -07:00 |
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cdb4275ced
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fix issue with restoring box-shifted atom coords
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2020-02-28 12:53:04 -07:00 |
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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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fbee5966f6
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added cstring back to includes
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2020-02-27 14:42:31 -07:00 |
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7a720ee9cf
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removed cstring from includes and fixed style warnings
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2020-02-27 13:54:29 -07:00 |
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d242051c8e
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Merge pull request #1898 from akohlmey/next_lammps_version
Update version info for next release candidate
patch_27Feb2020
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2020-02-27 14:38:08 -05:00 |
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10fa9aa074
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added cstring to includes
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2020-02-27 11:37:02 -07:00 |
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35f4a62566
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Change final displace atom to reset atom to save on memory and computation
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2020-02-27 11:31:33 -07:00 |
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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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236535f61b
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fixed include, fixed numdiff forces getting called before initialization
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2020-02-27 10:48:46 -07:00 |
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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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669a49e994
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Merge pull request #1908 from stanmoore1/kk_finalize
Finalize Kokkos on error exit
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2020-02-27 12:05:17 -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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06ede499c1
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use only the LAMMPS logo in the navigation bar
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2020-02-27 11:36:00 -05:00 |
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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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