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12,707 Commits 9 Branches 198 Tags 1.1 GiB
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12707 Commits

Author SHA1 Message Date
Christoph Junghans c64424754d added USER-ATC 2017-07-16 16:18:58 -06:00
Christoph Junghans c549a16a85 enable REPLICA RIGID SHOCK SNAP SRD VORONOI 2017-07-16 11:30:09 -06:00
Christoph Junghans 140182fb0b added support for QEQ 2017-07-16 11:14:08 -06:00
Christoph Junghans 742eee1966 added support for POEMS 2017-07-16 11:07:36 -06:00
Christoph Junghans 4812d4c659 enable PERI 2017-07-16 10:48:29 -06:00
Christoph Junghans 95d9d32307 add support for MSCG 2017-07-16 10:37:24 -06:00
Christoph Junghans f50a757dc6 added MPIIO support 2017-07-16 08:32:14 -06:00
Christoph Junghans 01f5136584 cmake: clean up 2017-07-16 08:22:19 -06:00
Richard Berger fa1f38596c Add support for PYTHON in CMake build 2017-07-15 18:29:33 -05:00
Christoph Junghans 23540cfc94 enable MISC 2017-07-15 16:54:27 -06:00
Richard Berger fdb5ccefc7 Merge branch 'cmake' of github.com:junghans/lammps into cmake 2017-07-15 17:47:53 -05:00
Christoph Junghans 629f112915 add support for MEAM 2017-07-15 16:44:03 -06:00
Richard Berger acd315e97a Add basic KOKKOS support to CMake build 2017-07-15 15:33:36 -05:00
Richard Berger b15f75d37b Merge branch 'cmake' of github.com:junghans/lammps into cmake 2017-07-14 22:08:06 -05:00
Richard Berger 5e841bfe15 Added USER-OMP support to CMake build 2017-07-14 22:07:53 -05:00
Christoph Junghans d079b2f758 CreateStyleHeader: use temp file 2017-07-14 18:37:06 -06:00
Christoph Junghans 54f2b02ac8 cmake: fix install 2017-07-14 18:33:27 -06:00
Christoph Junghans 0a6e9c8bf6 added ENABLE_ALL option 2017-07-14 17:41:13 -06:00
Richard Berger b85979503f Add CMake support for more packages 
BODY, COLLOID, CLASS2, COMPRESS, CORESHELL, DIPOLE, GRANULAR, MC, MOLECULE, MANYBODY, RIGID
 2017-07-14 18:19:59 -05:00
Richard Berger c7e218f310 Merge branch 'cmake' of github.com:junghans/lammps into cmake 2017-07-14 18:06:27 -05:00
Richard Berger 335ef11a7b Added style header generation with CMake 2017-07-14 17:49:05 -05:00
Christoph Junghans d5dcb3d329 add support for KSPACE 2017-07-14 15:55:36 -06:00
Christoph Junghans c07adac22d add support for LAMMPS_GZIP 2017-07-14 14:49:53 -06:00
Christoph Junghans e4e1252152 fix LAMMPS_PNG 2017-07-14 14:44:44 -06:00
Christoph Junghans 842dc1b58c cmake: collect link libs 2017-07-14 14:21:21 -06:00
Richard Berger a566419ca6 Add LAMMPS_LIB_SOURCE_DIR variable in CMakeLists.txt 2017-07-14 04:36:52 -05:00
Richard Berger fdd3d802f0 Clean up CMakeList.txt by introducing LAMMPS_SOURCE_DIR variable 2017-07-14 04:00:38 -05:00
Richard Berger a86b0d4c1b Add PNG library detection to CMakeList.txt 2017-07-14 03:53:07 -05:00
Christoph Junghans 7f1789a0c4 cmake: add support for REAX and hence Fortran 2017-07-13 23:30:46 -06:00
Christoph Junghans bfb449cec9 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
 2017-07-13 22:54:51 -06:00
Christoph Junghans 6b19016deb cmake: initial commit 2017-07-12 16:23:38 -06:00
Steve Plimpton 4339379948 patch 6Jul17 2017-07-06 13:58:26 -06:00
sjplimp 87af3b1fd9 Merge pull request #564 from lammps/fix-external 
bugfix for fix msst
 2017-07-06 08:58:20 -06:00
Axel Kohlmeyer 0423971205 whitespace cleanup 2017-07-06 00:24:00 -04:00
Axel Kohlmeyer 4ee7c6f5ca remove code without effect 2017-07-06 00:23:50 -04:00
Axel Kohlmeyer 7f63c09667 correct comment for Fix::ev_setup() 2017-07-05 22:35:58 -04:00
Axel Kohlmeyer a5234d7aea fix bug reported by richard berger via https://ci.lammps.org/job/lammps/job/master/job/regression/160/testReport/junit/examples/msst/msst/ 2017-07-05 22:34:34 -04:00
sjplimp be8360ac4b Merge pull request #562 from lammps/fix-external 
additional fix external hooks for calling programs
 2017-07-05 14:46:10 -06:00
Axel Kohlmeyer 4de9cec1b6 make old_velocities allocation safer while retaining the test for nlocal 2017-07-05 16:22:39 -04:00
Axel Kohlmeyer 09ad293425 remove dead code 2017-07-05 15:04:35 -04:00
Axel Kohlmeyer e625e79171 safer handling of processors w/o local atoms 2017-07-05 15:04:27 -04:00
Axel Kohlmeyer f1088a5003 changes requested by @sjplimp 2017-07-05 15:03:58 -04:00
Steve Plimpton ea4f16bd79 additional fix external hooks for calling programs 2017-07-05 10:01:19 -06:00
sjplimp d0a397d6cb Merge pull request #559 from lammps/fortran3 
3rd variant of Fortran wrapper for DFTB+ calling LAMMPS
 2017-07-03 14:50:33 -06:00
Steve Plimpton f670dba3d0 3rd variant of Fortran wrapper for DFTB+ calling LAMMPS 2017-07-03 14:24:16 -06:00
sjplimp 6fc0a94e87 Merge pull request #524 from martok/package-meamc 
Package USER-MEAMC
 2017-07-03 12:30:01 -06:00
sjplimp 5c0c8bb4cd Merge pull request #558 from lammps/intel 
memory allocation bugfix for USER-INTEL pppm from M Brown
 2017-07-03 12:25:12 -06:00
sjplimp 9eeb97b039 Merge pull request #544 from akohlmey/tip4p-triclinic 
Correct handling of triclinic box support in pppm/tip4p and pppm/tip4p/omp
 2017-07-03 12:24:18 -06:00
Axel Kohlmeyer 9ca9b5e2ff add authors tag to pull request template 2017-07-03 12:06:36 -04:00
Axel Kohlmeyer db73eca29f correct example inputs for recent changes to create_bonds command 2017-07-03 11:43:55 -04:00