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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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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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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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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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8ec033e823
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Merge pull request #889 from akohlmey/cplusplus-compliance
Collected changes to restore C++ standard compliance
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2018-05-07 10:42:22 -06:00 |
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a7c9418629
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Merge pull request #890 from jrgissing/bond_react_final_touches
bond/react final touches
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2018-05-07 10:37:47 -06:00 |
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bc0c405bfa
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Merge pull request #887 from akohlmey/create-bonds-single-bugfix
Fix bug in create_bonds single/bond
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2018-05-07 10:37:00 -06:00 |
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1ea5b9eabb
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Merge pull request #879 from mdelyser/USER-BOCS
USER-BOCS
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2018-05-07 10:34:51 -06:00 |
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d9d33ac766
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add ability to set multiplicity for dihedrals with fix restrain
this introduces an optional keyword, so backward compatibility is preserved.
this closes #884
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2018-05-07 07:23:29 -04:00 |
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d51745fd27
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whitespace cleanup
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2018-05-07 07:23:29 -04:00 |
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c3588f08b7
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provide keyword/value option to compute ackland/atom for selecting legacy or current variant of implementation
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2018-05-07 07:23:29 -04:00 |
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ecfe5c8373
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use american spelling of neighbor consistently in docs and code comments
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2018-05-07 07:23:29 -04:00 |
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009666d9a5
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need to ignore pair style kim in src/
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2018-05-07 07:23:29 -04:00 |
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551ea9694d
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add VTK config for recent fedora versions
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2018-05-07 07:23:29 -04:00 |
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d7339bbd9e
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significantly expand .github/CODEOWNERS file to automatically notify more contributors of changes to files/packages they maintain
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2018-05-07 07:23:29 -04:00 |
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934f825388
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update USER-INTEL Install.sh script and dependency handling
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2018-05-07 07:23:29 -04:00 |
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f4fbdea0b3
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update .gitignore for lib/latte
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2018-05-07 07:23:29 -04:00 |
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14588f6242
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remove dead code and fix compilation for fix mscg
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2018-05-07 07:23:29 -04:00 |
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5e49976b70
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correct typo in fix bond/react docs
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2018-05-06 11:17:34 -04:00 |
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9d9d7cb9ed
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update example log files
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2018-05-06 11:10:40 -04:00 |
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941d289a69
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cosmetic changes to avoid compiler warnings
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2018-05-06 10:54:34 -04:00 |
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e1f9ee1347
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fix1
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2018-05-06 01:04:23 -06:00 |
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916ed71760
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fix bond/react final touches
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2018-05-06 00:34:03 -06:00 |
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9d6891823a
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some more cosmetic changes
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2018-05-05 20:38:22 -04:00 |
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e14b61e4a4
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replace variable length array with constant length through making maxLine constant
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2018-05-05 19:51:30 -04:00 |
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2d321a602c
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Merge pull request #10 from lammps/master
rebase
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2018-05-05 14:22:23 -06:00 |
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9acd35abe2
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another change to fix poems
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2018-05-05 10:52:39 -06:00 |
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0c53afbfcf
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more changes to fix rigid and fix poems
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2018-05-05 10:39:01 -06:00 |
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2616dd91f9
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include USER-BOCS package in cmake
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2018-05-05 12:05:32 -04:00 |
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f7c37a7a98
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adapt isfinite() handling to upstream
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2018-05-05 11:46:35 -04:00 |
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