Axel Kohlmeyer
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b72215fe02
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add support for automated checksumming of downloaded sources to kim api conventional build
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2019-08-16 12:43:37 -04:00 |
Ryan S. Elliott
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42711245a2
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bump kim-api to 2.1.3
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2019-08-16 10:08:23 -06:00 |
Axel Kohlmeyer
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8cfdf4fad5
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Merge pull request #1632 from ellio167/kim-query-user-agent
Add user-agent setting to kim_query curl command
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2019-08-16 12:05:55 -04:00 |
Axel Kohlmeyer
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72c5808cfe
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Merge pull request #1633 from junghans/chain.x_install
cmake: install chain.x as well
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2019-08-16 12:05:33 -04:00 |
Christoph Junghans
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edbd525bcb
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cmake: install chain.x as well
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2019-08-14 17:16:43 -06:00 |
Ryan S. Elliott
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259176c590
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Add user-agent setting to kim_query curl command
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2019-08-14 17:16:10 -06:00 |
Axel Kohlmeyer
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a12b959f39
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Merge pull request #1625 from ellio167/kim-logs
Added logs for examples/kim
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2019-08-09 13:47:41 -04:00 |
Ryan S. Elliott
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8619462b3b
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Added logs for examples/kim
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2019-08-07 16:14:22 -05:00 |
Axel Kohlmeyer
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d08d6b5fb0
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Merge pull request #1623 from akohlmey/next-version
Step version string for stable release
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2019-08-06 11:17:40 -04:00 |
Axel Kohlmeyer
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db621fc897
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Merge pull request #1622 from akohlmey/fix-ave-histo-bugfix
fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
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2019-08-06 10:54:49 -04:00 |
Axel Kohlmeyer
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c820c92225
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Merge pull request #1620 from lammps/replicate
fix formatting and augment explanation for bbox option
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2019-08-06 10:12:19 -04:00 |
Axel Kohlmeyer
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59046e7444
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step version number for stable release
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2019-08-06 08:52:54 -04:00 |
Axel Kohlmeyer
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4a55e9dd0c
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fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
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2019-08-06 07:28:00 -04:00 |
Steve Plimpton
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2d64323354
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fix formatting and augment explanation for bbox option
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2019-08-05 17:21:11 -06:00 |
Axel Kohlmeyer
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25b504d4fd
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Merge pull request #1615 from akohlmey/next_version
Step version string for stable release
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2019-08-05 19:13:17 -04:00 |
Axel Kohlmeyer
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34cc7ed5b1
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Merge pull request #1619 from ellio167/kim-doc-update
Update kim query url in docs
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2019-08-05 17:39:40 -04:00 |
Axel Kohlmeyer
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3ef93d6e1b
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cannot forced enable FFMpeg and gzip on windows yet.
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2019-08-05 16:59:18 -04:00 |
Axel Kohlmeyer
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2092b2c010
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Step version string for stable release
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2019-08-05 16:58:26 -04:00 |
Axel Kohlmeyer
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16bf916dd0
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Merge pull request #1616 from akohlmey/fixes-for-stable
Collected small fixes for stable release
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2019-08-05 16:48:50 -04:00 |
Axel Kohlmeyer
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3a4bce1e52
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Merge pull request #1617 from rbberger/cmake_docs_additions
Mention LAMMPS_LIB_SUFFIX in docs
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2019-08-05 16:36:48 -04:00 |
Axel Kohlmeyer
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0bd5704107
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Merge pull request #1618 from giacomofiorin/colvars-update
Bugfix for Colvars library (update to version 2019-08-05)
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2019-08-05 16:36:16 -04:00 |
Ryan S. Elliott
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e39b85b62f
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Update kim query url in docs
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2019-08-05 15:23:57 -05:00 |
Giacomo Fiorin
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97501f0946
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Fix typo
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2019-08-05 14:59:40 -04:00 |
Giacomo Fiorin
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51ba9bd520
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Bugfix for Colvars library (update to version 2019-08-05)
Bugfix for group2CenterOnly (coordNum option):
https://github.com/Colvars/colvars/pull/278
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2019-08-05 14:14:33 -04:00 |
Richard Berger
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f2757eaf41
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Mention LAMMPS_LIB_SUFFIX in docs
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2019-08-05 14:00:56 -04:00 |
Axel Kohlmeyer
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096c225594
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Merge pull request #1613 from rbberger/cmake_docs_update
Update CMake documentation
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2019-08-04 18:32:11 -04:00 |
Axel Kohlmeyer
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58d27403f1
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CMake tweaks to improve building LAMMPS for windows with mingw on Linux
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2019-08-04 18:28:26 -04:00 |
Richard Berger
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b65ae605e5
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Added one-liner for HTML-only docs in Build.txt
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2019-08-03 15:17:18 -04:00 |
Axel Kohlmeyer
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d82ae64d16
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minor tweak for consistency
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2019-08-03 11:16:55 -04:00 |
Axel Kohlmeyer
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5b3423c60e
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tweaks for Linux to Windows cross-compilation
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2019-08-03 11:16:14 -04:00 |
Axel Kohlmeyer
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faefcc776a
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sched_getaffinity() is a Linux specific system call. add preprocessor guards
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2019-08-03 10:38:41 -04:00 |
Axel Kohlmeyer
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0774e92ece
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use KIM-API 2.1.2 consistently with CMake and conventional build system
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2019-08-03 06:40:31 -04:00 |
Axel Kohlmeyer
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91fdd98fbc
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restore accidentally deleted text
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2019-08-02 18:44:40 -04:00 |
Richard Berger
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bd87b67232
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Update false_positives.txt
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2019-08-02 17:35:26 -04:00 |
Richard Berger
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eb7fa1b6cb
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Update CMake documentation
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2019-08-02 17:04:59 -04:00 |
Axel Kohlmeyer
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aff5f06e8f
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Merge pull request #1612 from akohlmey/new_version
Step version string for next patch release
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2019-08-02 14:27:13 -04:00 |
Axel Kohlmeyer
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bd3ffe1321
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Merge pull request #1603 from eagunn/iss1572clean
Iss1572clean: Clean fix for error handling, clarify data requirements for fix bocs input
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2019-08-02 10:43:30 -04:00 |
Axel Kohlmeyer
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11198e9d29
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Merge pull request #1607 from giacomofiorin/colvars-update
Update Colvars to version 2019-08-01
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2019-08-02 10:43:13 -04:00 |
Axel Kohlmeyer
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a857e7f790
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Merge pull request #1608 from wmbrownIntel/intel-eam-eatom-fix
Bug fix for eam/intel per-atom energy calculation.
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2019-08-02 10:42:54 -04:00 |
Axel Kohlmeyer
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9c691ddd0f
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Merge pull request #1610 from wmbrownIntel/intel-ncache-alias-fix
Bug fixes for use of uninitialized variable and strict-aliasing in USER-INTEL
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2019-08-02 10:42:37 -04:00 |
Axel Kohlmeyer
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828ddfd957
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Merge pull request #1611 from evoyiatzis/patch-1
small clean-up of fix.txt
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2019-08-02 10:42:20 -04:00 |
Axel Kohlmeyer
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7ba6b8a06a
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Merge pull request #1604 from akohlmey/timeout-for-replica
Add support for timeouts to temper commands and a few small fixes
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2019-08-02 10:41:44 -04:00 |
Anne Gunn
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d750cc02c0
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Changed the code in the read_F_table function to conform to the "expected behavior" description in #1572. Adopted a best-of-both-worlds approach, though, and processed the whole input file all the way through, emitting a message for each problem found, before issuing a final error message to stop processing. Updated doc to clarify requirement for uniform spacing of pressure correction points.
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2019-08-02 08:46:04 -04:00 |
Axel Kohlmeyer
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9ed43e55f0
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add some more descriptions for fixes to list of style in fix command docs
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2019-08-02 08:41:34 -04:00 |
Axel Kohlmeyer
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8fd28cd78d
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fix typo
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2019-08-02 08:40:59 -04:00 |
Axel Kohlmeyer
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b5f19b93c2
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Step version string for next patch release
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2019-08-02 05:15:29 -04:00 |
Evangelos Voyiatzis
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5076f1a36c
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small clean-up of fix.txt
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2019-08-02 10:55:18 +02:00 |
Axel Kohlmeyer
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f61cd68ca4
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add missing parenthesis
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2019-08-01 20:43:33 -04:00 |
Axel Kohlmeyer
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5b4b418289
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use check_language() instead of enable_language() to get fortran compiler name
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2019-08-01 18:24:14 -04:00 |
Axel Kohlmeyer
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8df7f51470
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Merge branch 'master' into timeout-for-replica
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2019-08-01 16:56:49 -04:00 |