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20031 Commits

Author SHA1 Message Date
Axel Kohlmeyer 1642bf5afc
always skip deprecated C++ MPI interface 2020-03-05 10:16:21 -05:00
Axel Kohlmeyer 2e8aeaef46
remove mentioning external tex files from contribution guide 2020-03-05 09:21:01 -05:00
Axel Kohlmeyer d0160cc208
Merge pull request #1915 from akohlmey/cpp-11-cmake-3.10 
Require C++11 and CMake 3.10
 2020-03-05 09:14:46 -05:00
Julien Guénolé 1ee67c20d9 comments 2020-03-05 11:57:01 +01:00
Julien Guénolé ca89c460bf remove space 2020-03-05 11:49:02 +01:00
Julien Guénolé 022dd4a4e4 special v evaluation to limite dtv each time v is zeroed 2020-03-05 11:39:48 +01:00
Julien Guénolé 27fdbfa8a1 minor modification of halfstepback with correct dt 2020-03-05 10:49:39 +01:00
Axel Kohlmeyer 6786efa224
Merge commit 'refs/pull/1916/head' of github.com:lammps/lammps into collected-small-fixes 2020-03-04 17:04:45 -05:00
Jinzhe Zeng 14d17b3513
clean the superfluous newline 
I believe this newline in the document is superfluous.
 2020-03-04 16:41:27 -05:00
Axel Kohlmeyer ec87a51a61
put C++11 compliance check into CMake 2020-03-04 14:52:38 -05:00
Axel Kohlmeyer 7bbf070757
document new C++ and CMake requirements in manual 2020-03-04 14:37:51 -05:00
Axel Kohlmeyer ab51ae854e
require C++11 to compile LAMMPS 2020-03-04 14:28:47 -05:00
Axel Kohlmeyer a972850b39
require CMake version 3.10. remove tests for older versions. 2020-03-04 14:28:33 -05:00
Axel Kohlmeyer e9544218e6
some corrections to the building the manual documentation 2020-03-04 14:14:12 -05:00
Axel Kohlmeyer 3ca93f10b3
don't run atof() on a NULL pointer in case a potential file has an empty line 2020-03-04 14:00:52 -05:00
Evan Weinberg cd61cfe8c7 SNAP optimizations, taking advantage of improved data layouts, scratch memory, and hierarchical parallelism. 2020-03-03 13:02:04 -05:00
Axel Kohlmeyer 6354777d09
Merge pull request #1914 from akohlmey/next_lammps_version 
Step version string for next patch and stable version
 2020-03-03 10:27:12 -05:00
Axel Kohlmeyer 3eeb7547b5
step version string for next patch and stable version 2020-03-03 07:25:18 -05:00
Axel Kohlmeyer c5ee78ca1d
Merge pull request #1910 from akohlmey/documentation-fixes 
Some more conversions and corrections for the LAMMPS manual
 2020-03-03 06:25:44 -05:00
Axel Kohlmeyer 7d598ba8d7
synchronize list of hardware architectures supported by KOKKOS with list in cmake file 2020-03-03 03:33:23 -05:00
Axel Kohlmeyer 7f84de17bd
Merge pull request #1912 from migueldiascosta/epyc_kokkos_arch 
add EPYC to KOKKOS_ARCH_LIST
 2020-03-03 03:32:03 -05:00
Axel Kohlmeyer a4a5d24a69
add link to github support for subversion clients 2020-03-03 03:19:25 -05:00
Axel Kohlmeyer 8f608f6a35
lo-level -> low-level 2020-03-01 10:30:06 -05:00
Axel Kohlmeyer ff614957c6
encode some more mathematical expressions and symbols 2020-03-01 09:25:20 -05:00
Axel Kohlmeyer 2455e35fd8
typeset mixing rules with embedded math 2020-03-01 08:51:29 -05:00
Miguel Dias Costa 8765b14377 add EPYC to KOKKOS_ARCH_LIST 2020-03-01 13:45:06 +08:00
Axel Kohlmeyer 8662733dcd
convert the remainder of raw html typesetting in pair style smtbq 2020-02-29 14:45:39 -05:00
Axel Kohlmeyer 228a0bfa2e
replace hi- with high- 2020-02-29 11:37:47 -05:00
Axel Kohlmeyer 6f47f110f1
use k_B consistently, fix some more math. convert some transcriptions to math 2020-02-29 11:37:31 -05:00
Axel Kohlmeyer 07fc624509
typeset reduced units 2020-02-29 06:41:28 -05:00
Axel Kohlmeyer 66a0e27edf
some more cases where we can use embedded math 2020-02-29 04:57:44 -05:00
Axel Kohlmeyer e6c9efe6bf
convert lists to tables for more compact presentation 2020-02-28 18:52:13 +01:00
Axel Kohlmeyer f02b2485fa
tweak command overview table width so it is readable in PDF 2020-02-28 18:51:52 +01:00
Axel Kohlmeyer 71c11c32e3
replace more raw html code and add syntax highlighting 2020-02-28 18:00:43 +01:00
Axel Kohlmeyer 19d334908b
replace raw html with embedded math expressions and fix related issues 2020-02-28 17:39:57 +01:00
Giacomo Fiorin 7be004512f 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
 2020-02-27 19:55:31 -05:00
Axel Kohlmeyer 03985454ed
some more formatting and math conversion improvements 2020-02-27 18:18:49 -05:00
Axel Kohlmeyer d242051c8e
Merge pull request #1898 from akohlmey/next_lammps_version 
Update version info for next release candidate
 2020-02-27 14:38:08 -05:00
Axel Kohlmeyer 6e7e365981
Merge pull request #1888 from lammps/release-preparation 
Documentation and Build script and Info updates for stable release
 2020-02-27 13:23:08 -05:00
Axel Kohlmeyer 3c277409c2
switch parsed-literal to code-block in Howto files where applicable 2020-02-27 12:45:14 -05:00
Axel Kohlmeyer 669a49e994
Merge pull request #1908 from stanmoore1/kk_finalize 
Finalize Kokkos on error exit
 2020-02-27 12:05:17 -05:00
Axel Kohlmeyer 06ede499c1
use only the LAMMPS logo in the navigation bar 2020-02-27 11:36:00 -05:00
Axel Kohlmeyer eb8531062c
Merge branch 'doc-updates' of github.com:rbberger/lammps into release-preparation 2020-02-27 11:26:15 -05:00
Richard Berger 25ec8d36a8 Final batch of index cleanup and code-blocks 2020-02-27 11:08:04 -05:00
Stan Moore 704207f3c8 Finalize Kokkos on error exit 2020-02-27 08:51:02 -07:00
Axel Kohlmeyer 2d2cb46dc0
move release date 2020-02-27 08:58:09 +01:00
Axel Kohlmeyer 1bb38ed09b
Merge commit 'refs/pull/1903/head' of github.com:lammps/lammps into release-preparation 2020-02-27 01:15:17 -05:00
jrgissing fe1ac99ae7 bond/react: docs tweak 2020-02-26 20:08:58 -07:00
Richard Berger 9ef5949798 Second batch of index cleanup and code-blocks 2020-02-26 16:31:05 -05:00
Axel Kohlmeyer 3563d2f10d
remove references to html-offline and only produce the offline viewable html manual 2020-02-26 16:01:03 -05:00