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8d24101df4
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patch 11May18
patch_11May2018
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2018-05-11 14:04:49 -06:00 |
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724ade0af3
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silence compiler warnings about bool vs int in AtC lib
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2018-05-10 18:48:47 -04:00 |
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40a8b1af79
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fix stupid bug in AtC when using alloca() instead of VLAs
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2018-05-10 17:42:10 -04:00 |
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33a41a4fb3
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Merge pull request #906 from akohlmey/recover-jenkins
Recover jenkins test builds
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2018-05-10 15:20:01 -06:00 |
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79d1d3458e
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revive lib/atc/Makefile.mpic++
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2018-05-10 15:44:36 -04:00 |
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aa1d815fe5
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Merge pull request #904 from jrgissing/typing_bugfix
Retyping parameters bugfix
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2018-05-10 06:56:50 -06:00 |
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863a85353a
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type reassignment bugfix for edge atoms
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2018-05-09 23:55:04 -06:00 |
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662535865f
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Merge pull request #12 from lammps/master
rebase
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2018-05-09 23:51:57 -06:00 |
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dde271db36
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Merge pull request #900 from lammps/install
Consistency tweaks to various package Install.sh files and related shell scripts
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2018-05-09 15:10:35 -06:00 |
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a7a83b118d
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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8697cac6aa
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make QEQ package depend on MANYBODY
the qeq/fire style depends on pair style comb,
thus QEQ needs and explicit Install.sh file and
it has to depend on MANYBODY
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2018-05-09 16:06:37 -04:00 |
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793260f227
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consistency tweak to package LATTE Install.sh file
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2018-05-09 11:47:57 -06:00 |
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e5a589e05a
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Merge pull request #898 from robeme/fix_restrain_individual_energies
Output individual energies in fix restrain
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2018-05-09 11:43:52 -06:00 |
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dc8e141501
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Merge pull request #896 from akohlmey/cplusplus-compliance-lib
C++ style header includes and C++ standard conforming code changes in lib folder
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2018-05-09 11:43:03 -06:00 |
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9f03a6798f
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Merge pull request #880 from stanmoore1/kk_dep
Remove Kokkos deprecated code
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2018-05-09 11:41:25 -06:00 |
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b4e5828a60
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Update fix_restrain.cpp
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2018-05-08 15:36:32 -04:00 |
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671876efef
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Make the description of global properties more explicit
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2018-05-08 15:33:42 -04:00 |
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8705ea9fc5
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replace pointless use of strncat() emulating strcat() with plain strcat()
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2018-05-08 08:49:05 -04:00 |
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16697fc4cb
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forgot to reduce energies
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2018-05-08 10:46:41 +02:00 |
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53fc9f1f0f
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updated doc for new fix restrain output
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2018-05-08 10:11:00 +02:00 |
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6960529594
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set appropriate flags for computing a vector in constructor of fix restrain
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2018-05-08 10:02:10 +02:00 |
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fccc16f42c
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tune OpenCL for generic architecture by default
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2018-05-08 00:50:23 -04:00 |
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e7e1827e57
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remove variable length arrays in gpu lib
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2018-05-08 00:48:53 -04:00 |
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c9817b0db9
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update src/.gitignore
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2018-05-08 00:33:27 -04:00 |
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318dfd0613
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correct indentation
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2018-05-08 00:32:49 -04:00 |
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f4d14c96e8
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convert poems lib to use c++-style header includes
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2018-05-08 00:29:56 -04:00 |
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3394d18a2a
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convert gpu lib to use c++-style include files
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2018-05-08 00:25:10 -04:00 |
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ff6507e7b7
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convert colvars lib to use c++ style header files
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2018-05-08 00:17:57 -04:00 |
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fff962646f
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convert awpmd header include to c++ style
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2018-05-08 00:10:20 -04:00 |
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f39a8d46d1
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convert atc library header files to C++ style
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2018-05-08 00:05:18 -04:00 |
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00b92cd93b
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Merge pull request #11 from lammps/master
rebase
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2018-05-07 21:58:57 -06:00 |
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808eb2a25e
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Merge pull request #895 from junghans/cmake
cmake: remove obsolete BODY/POEMS conflict
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2018-05-07 16:43:25 -06:00 |
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1888b616c4
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remove some extra semicolons
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2018-05-07 18:04:25 -04:00 |
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761b15b8f4
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cmake: remove obsolete BODY/POEMS conflict
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2018-05-07 16:03:23 -06:00 |
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cde6e9b7c4
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Fix CUDA issue in pair_exp6_rx_kokkos
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2018-05-07 15:51:15 -06:00 |
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104dde27ed
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eliminate variable length arrays from AtC lib for C++ standard compliance
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2018-05-07 17:36:34 -04:00 |
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bfdfd36c1c
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Merge pull request #894 from akohlmey/cplusplus-clang-fixes
More fixes to conform with C++ standards as indicated by Clang
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2018-05-07 14:53:43 -06:00 |
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a4759210a8
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Merge pull request #893 from ohenrich/user-cgdna
Docs update and journal reference for USER-CGDNA package
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2018-05-07 14:39:32 -06:00 |
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7fed6c7e4c
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Merge pull request #634 from craabreu/master
Computation of forces/torques on rigid bodies moved to post_force
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2018-05-07 14:39:10 -06:00 |
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82217001c8
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must use fabs() on doubles, not abs(), to avoid ambiguity
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2018-05-07 15:56:35 -04:00 |
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b2370b6986
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use correct namespace when instantiating IntelBuffers;
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2018-05-07 15:49:51 -04:00 |
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624173d25a
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Merge branch 'master' into kk_dep
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2018-05-07 13:42:33 -06:00 |
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7cf42e42eb
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make links to citations unique across files 2/2
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2018-05-07 14:25:18 -04:00 |
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d80b375e26
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make links to citations unique across files 1/2
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2018-05-07 14:24:00 -04:00 |
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d203118286
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update rigid body reference outputs. add bodyforces early examples
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2018-05-07 14:19:50 -04:00 |
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74fbb84b8c
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Merge pull request #878 from jrgissing/group_extract
Group extract
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2018-05-07 11:45:37 -06:00 |
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5076b6d161
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Removed old documentation
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2018-05-07 18:25:55 +01:00 |
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fcdcdb3286
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Merge branch 'master' into user-cgdna
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2018-05-07 18:19:24 +01:00 |
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722549965e
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Added reference to implementation paper
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2018-05-07 18:13:18 +01:00 |
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ca96a7ab05
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Merge pull request #891 from akohlmey/collected-small-changes
Collected small changes, fixes and updates
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2018-05-07 10:43:19 -06:00 |
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