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742eee1966
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added support for POEMS
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2017-07-16 11:07:36 -06:00 |
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4812d4c659
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enable PERI
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2017-07-16 10:48:29 -06:00 |
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95d9d32307
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add support for MSCG
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2017-07-16 10:37:24 -06:00 |
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f50a757dc6
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added MPIIO support
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2017-07-16 08:32:14 -06:00 |
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01f5136584
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cmake: clean up
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2017-07-16 08:22:19 -06:00 |
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fa1f38596c
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Add support for PYTHON in CMake build
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2017-07-15 18:29:33 -05:00 |
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23540cfc94
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enable MISC
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2017-07-15 16:54:27 -06:00 |
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fdb5ccefc7
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Merge branch 'cmake' of github.com:junghans/lammps into cmake
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2017-07-15 17:47:53 -05:00 |
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629f112915
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add support for MEAM
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2017-07-15 16:44:03 -06:00 |
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acd315e97a
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Add basic KOKKOS support to CMake build
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2017-07-15 15:33:36 -05:00 |
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b15f75d37b
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Merge branch 'cmake' of github.com:junghans/lammps into cmake
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2017-07-14 22:08:06 -05:00 |
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5e841bfe15
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Added USER-OMP support to CMake build
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2017-07-14 22:07:53 -05:00 |
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d079b2f758
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CreateStyleHeader: use temp file
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2017-07-14 18:37:06 -06:00 |
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54f2b02ac8
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cmake: fix install
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2017-07-14 18:33:27 -06:00 |
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0a6e9c8bf6
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added ENABLE_ALL option
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2017-07-14 17:41:13 -06:00 |
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b85979503f
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Add CMake support for more packages
BODY, COLLOID, CLASS2, COMPRESS, CORESHELL, DIPOLE, GRANULAR, MC, MOLECULE, MANYBODY, RIGID
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2017-07-14 18:19:59 -05:00 |
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c7e218f310
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Merge branch 'cmake' of github.com:junghans/lammps into cmake
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2017-07-14 18:06:27 -05:00 |
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335ef11a7b
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Added style header generation with CMake
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2017-07-14 17:49:05 -05:00 |
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d5dcb3d329
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add support for KSPACE
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2017-07-14 15:55:36 -06:00 |
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c07adac22d
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add support for LAMMPS_GZIP
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2017-07-14 14:49:53 -06:00 |
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e4e1252152
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fix LAMMPS_PNG
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2017-07-14 14:44:44 -06:00 |
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842dc1b58c
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cmake: collect link libs
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2017-07-14 14:21:21 -06:00 |
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a566419ca6
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Add LAMMPS_LIB_SOURCE_DIR variable in CMakeLists.txt
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2017-07-14 04:36:52 -05:00 |
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fdd3d802f0
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Clean up CMakeList.txt by introducing LAMMPS_SOURCE_DIR variable
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2017-07-14 04:00:38 -05:00 |
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a86b0d4c1b
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Add PNG library detection to CMakeList.txt
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2017-07-14 03:53:07 -05:00 |
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7f1789a0c4
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cmake: add support for REAX and hence Fortran
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2017-07-13 23:30:46 -06:00 |
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bfb449cec9
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cmake: furhter improvments
* Add support for one package
* Add support for JPEG as external package
* Use pre-generated style header
* TODO write a script to generate them
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2017-07-13 22:54:51 -06:00 |
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6b19016deb
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cmake: initial commit
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2017-07-12 16:23:38 -06:00 |
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4339379948
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patch 6Jul17
patch_6Jul2017
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2017-07-06 13:58:26 -06:00 |
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87af3b1fd9
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Merge pull request #564 from lammps/fix-external
bugfix for fix msst
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2017-07-06 08:58:20 -06:00 |
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0423971205
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whitespace cleanup
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2017-07-06 00:24:00 -04:00 |
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4ee7c6f5ca
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remove code without effect
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2017-07-06 00:23:50 -04:00 |
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7f63c09667
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correct comment for Fix::ev_setup()
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2017-07-05 22:35:58 -04:00 |
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a5234d7aea
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fix bug reported by richard berger via https://ci.lammps.org/job/lammps/job/master/job/regression/160/testReport/junit/examples/msst/msst/
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2017-07-05 22:34:34 -04:00 |
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be8360ac4b
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Merge pull request #562 from lammps/fix-external
additional fix external hooks for calling programs
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2017-07-05 14:46:10 -06:00 |
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4de9cec1b6
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make old_velocities allocation safer while retaining the test for nlocal
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2017-07-05 16:22:39 -04:00 |
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09ad293425
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remove dead code
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2017-07-05 15:04:35 -04:00 |
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e625e79171
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safer handling of processors w/o local atoms
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2017-07-05 15:04:27 -04:00 |
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f1088a5003
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changes requested by @sjplimp
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2017-07-05 15:03:58 -04:00 |
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ea4f16bd79
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additional fix external hooks for calling programs
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2017-07-05 10:01:19 -06:00 |
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d0a397d6cb
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Merge pull request #559 from lammps/fortran3
3rd variant of Fortran wrapper for DFTB+ calling LAMMPS
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2017-07-03 14:50:33 -06:00 |
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f670dba3d0
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3rd variant of Fortran wrapper for DFTB+ calling LAMMPS
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2017-07-03 14:24:16 -06:00 |
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6fc0a94e87
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Merge pull request #524 from martok/package-meamc
Package USER-MEAMC
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2017-07-03 12:30:01 -06:00 |
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5c0c8bb4cd
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Merge pull request #558 from lammps/intel
memory allocation bugfix for USER-INTEL pppm from M Brown
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2017-07-03 12:25:12 -06:00 |
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9eeb97b039
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Merge pull request #544 from akohlmey/tip4p-triclinic
Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omp
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2017-07-03 12:24:18 -06:00 |
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9ca9b5e2ff
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add authors tag to pull request template
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2017-07-03 12:06:36 -04:00 |
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db73eca29f
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correct example inputs for recent changes to create_bonds command
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2017-07-03 11:43:55 -04:00 |
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2d1941ed9b
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make USER-INTEL compilable again with gcc and without OpenMP active
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2017-07-03 11:33:08 -04:00 |
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e634c5a2de
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memory allocation bugfix for USER-INTEL pppm from M Brown
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2017-07-03 08:53:53 -06:00 |
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22f3db4723
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remove some dead code and prune argument lists accordingly
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2017-07-01 18:16:36 -04:00 |
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