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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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095ca76b5b
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plug memory leaks in USER-BOCS
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2018-05-05 11:44:21 -04:00 |
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f9f8e2bdbe
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update USER-BOCS example to match LAMMPS style and include reference logs
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2018-05-05 11:43:05 -04:00 |
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735bceb468
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Merge branch 'master' into USER-BOCS
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2018-05-05 10:21:21 -04:00 |
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81293b0fda
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changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
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2018-05-05 10:21:11 -04:00 |
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88dca11b3c
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update colvars dependencies
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2018-05-05 02:36:02 -04:00 |
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460e8bd298
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add return value to non-void function
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2018-05-05 02:35:42 -04:00 |
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ce86ff6cd1
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add missing USER-MOFFF to Makefile and fix typo
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2018-05-05 02:15:36 -04:00 |
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36126ccb7d
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be more verbose in USER-PHONON install script when KSPACE is not installed
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2018-05-05 02:14:17 -04:00 |
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b7210e931c
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more cosmetic changes to silence pedantic warnings
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2018-05-04 22:34:20 -04:00 |
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53342a5cec
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address a few cosmetic issues flagged by -Wpedantic
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2018-05-04 22:17:25 -04:00 |
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d53dc541d8
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avoiding variable length array in pair style comb3 by declaring MAXLIB const
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2018-05-04 21:48:44 -04:00 |
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974ea3420b
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replace variable length array in fix drude/transform with new/delete
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2018-05-04 21:45:17 -04:00 |
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c83fedf100
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replace variable length array in Molecule class with new/delete
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2018-05-04 21:41:23 -04:00 |
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7edeccae80
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replace variable length arrays in fix filer/corotate by Memory::create() / Memory::destroy()
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2018-05-04 21:14:08 -04:00 |
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e242b37619
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cast implicit string objects to char * for C++ standard compliance
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2018-05-04 21:13:02 -04:00 |
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9a389c946c
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replace variable length arrays in fix rx of USER-DPD with new/delete
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2018-05-04 19:36:57 -04:00 |
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1b31b4899a
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replace variable length arrays in pair style tdpd with new/delete
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2018-05-04 19:06:36 -04:00 |
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d24885f805
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replace variable length array in fix lb/momentum with fixed size array
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2018-05-04 19:00:43 -04:00 |
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345c212828
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replace variable length arrays in compute basal/atom with new/delete
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2018-05-04 18:55:22 -04:00 |
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477d9feb5c
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replace variable length arrays in fix gcmc with new/delete
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2018-05-04 18:48:43 -04:00 |
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0a835c499a
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fix newly introduced bug
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2018-05-04 18:32:41 -04:00 |
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6dcee30b1a
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replace variable length arrays in fix gle with new/delete
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2018-05-04 18:21:22 -04:00 |
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5670dc5e6e
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replace variable length array in msm with new/delete
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2018-05-04 18:09:25 -04:00 |
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b11757adb3
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replace variable length array in fix ipi with new/delete
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2018-05-04 16:47:29 -04:00 |
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b61834f28d
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replace variable length array with fixed size
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2018-05-04 16:34:46 -04:00 |
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1d54c93df8
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replace variable length array with new/delete in PNG support of dump image
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2018-05-04 16:30:52 -04:00 |
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330f29db0b
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replace variable length arrays in USER-PHONON with new/delete
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2018-05-04 16:26:48 -04:00 |
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366aaf2450
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port bugfix for single/bond to single/angle and single/dihedral
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2018-05-04 00:32:13 -04:00 |
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