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History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| a3885b78ada8 | Christoph Junghans | added support -DLAMMPS_XDR and -DPACK_* | Jul 17 2017 | ||||
| 08c920029fc7 | Christoph Junghans | added lammps size option | Jul 17 2017 | ||||
| 2411192ab41d | Christoph Junghans | cmake: add cross-configure warning | Jul 17 2017 | ||||
| 5ee2c310389d | Christoph Junghans | split PACKAGES, get ENABLE-ALL right | Jul 17 2017 | ||||
| bda07301693a | Max Veit | Modified the quip/lammps interface to pass lammps atom ids | Jul 17 2017 | ||||
| 1c1a1db36669 | Richard Berger | Fix typo | Jul 17 2017 | ||||
| 80e44486146c | Christoph Junghans | added GPU | Jul 17 2017 | ||||
| 385c6f7f2ba7 | Christoph Junghans | cmake: clean up | Jul 17 2017 | ||||
| fc1be074b295 | Christoph Junghans | added USER-INTEL | Jul 17 2017 | ||||
| 7605f72c9a3e | Christoph Junghans | finish USER-QMMM | Jul 17 2017 | ||||
| 22ecd9b8d225 | Christoph Junghans | started on USER-QMMM | Jul 17 2017 | ||||
| 7dd5068740ac | Christoph Junghans | allow internal lapack | Jul 17 2017 | ||||
| fa0f8a9e2ad2 | Christoph Junghans | added USER-QUIP | Jul 17 2017 | ||||
| d6f05ea309c8 | Christoph Junghans | USER_OMP -> USER-OMP | Jul 17 2017 | ||||
| b6385d6ce21c | Christoph Junghans | add OpenKIM support | Jul 17 2017 | ||||
| 2978cce8db45 | Richard Berger | Added OPT | Jul 17 2017 | ||||
| 9991f679ae03 | Richard Berger | added USER-VTK | Jul 17 2017 | ||||
| fc2e8b3c5ed5 | Christoph Junghans | more USER packages | Jul 17 2017 | ||||
| bb87bd4ac74d | Christoph Junghans | enable more user packages | Jul 17 2017 | ||||
| d50b62837b42 | Christoph Junghans | add USER-AWPMD | Jul 17 2017 | ||||
| c64424754d32 | Christoph Junghans | added USER-ATC | Jul 17 2017 | ||||
| 992ce797010d | Axel Kohlmeyer | add sanity checks to EAM potential file reader subroutine | Jul 16 2017 | ||||
| c549a16a85ad | Christoph Junghans | enable REPLICA RIGID SHOCK SNAP SRD VORONOI | Jul 16 2017 | ||||
| 140182fb0bb0 | Christoph Junghans | added support for QEQ | Jul 16 2017 | ||||
| 742eee1966c1 | Christoph Junghans | added support for POEMS | Jul 16 2017 | ||||
| 4812d4c659f6 | Christoph Junghans | enable PERI | Jul 16 2017 | ||||
| 95d9d323075b | Christoph Junghans | add support for MSCG | Jul 16 2017 | ||||
| f50a757dc6d3 | Christoph Junghans | added MPIIO support | Jul 16 2017 | ||||
| 01f5136584b3 | Christoph Junghans | cmake: clean up | Jul 16 2017 | ||||
| fa1f38596c08 | Richard Berger | Add support for PYTHON in CMake build | Jul 16 2017 | ||||
| 23540cfc9414 | Christoph Junghans | enable MISC | Jul 16 2017 | ||||
| fdb5ccefc702 | Richard Berger | Merge branch 'cmake' of github.com:junghans/lammps into cmake | Jul 16 2017 | ||||
| 629f1129150d | Christoph Junghans | add support for MEAM | Jul 16 2017 | ||||
| acd315e97a7c | Richard Berger | Add basic KOKKOS support to CMake build | Jul 15 2017 | ||||
| d7355801dff5 | Richard Berger | Make KIM Install.py Python 3 compatible | Jul 15 2017 | ||||
| 4ec07422f07c | Axel Kohlmeyer | avoid division by zero when using cutoff 0.0 with pair_modify shift yes | Jul 15 2017 | ||||
| b15f75d37b10 | Richard Berger | Merge branch 'cmake' of github.com:junghans/lammps into cmake | Jul 15 2017 | ||||
| 5e841bfe1522 | Richard Berger | Added USER-OMP support to CMake build | Jul 15 2017 | ||||
| 3f297382ac1f | Axel Kohlmeyer | Revert "do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and… | Jul 15 2017 | ||||
| d079b2f758fe | Christoph Junghans | CreateStyleHeader: use temp file | Jul 15 2017 | ||||
| 54f2b02ac813 | Christoph Junghans | cmake: fix install | Jul 15 2017 | ||||
| 0a6e9c8bf676 | Christoph Junghans | added ENABLE_ALL option | Jul 15 2017 | ||||
| b85979503ffc | Richard Berger | Add CMake support for more packages | Jul 15 2017 | ||||
| c7e218f31081 | Richard Berger | Merge branch 'cmake' of github.com:junghans/lammps into cmake | Jul 15 2017 | ||||
| 335ef11a7bf5 | Richard Berger | Added style header generation with CMake | Jul 15 2017 | ||||
| 296e572e6998 | Steve Plimpton | better Install.py script for KIM from Ryan Elliott | Jul 15 2017 | ||||
| cc9b3864bff6 | sjplimp/GitHub | Merge pull request #577 from v0i0/airebo-kim-difference | Jul 15 2017 | ||||
| d5dcb3d32930 | Christoph Junghans | add support for KSPACE | Jul 14 2017 | ||||
| c07adac22d57 | Christoph Junghans | add support for LAMMPS_GZIP | Jul 14 2017 | ||||
| e4e12521522b | Christoph Junghans | fix LAMMPS_PNG | Jul 14 2017 | ||||
| 842dc1b58c4b | Christoph Junghans | cmake: collect link libs | Jul 14 2017 | ||||
| bbb4d63db980 | Axel Kohlmeyer | use neighbor list exclusions instead of a zero cutoff | Jul 14 2017 | ||||
| 1c92eecea7fc | Axel Kohlmeyer | move updated gauss_flow example to the correct folder | Jul 14 2017 | ||||
| a04711b21f06 | Axel Kohlmeyer | do not allow pairwise cutoffs <= 0.0. avoids undefined behavior and division by… | Jul 14 2017 | ||||
| e084d4dad633 | Axel Kohlmeyer | print warnings in Pair::init() only on MPI rank 0 | Jul 14 2017 | ||||
| 522bc13d6786 | Axel Kohlmeyer | avoid casts to the wrong derived class, which upsets code analysis tools. seems… | Jul 14 2017 | ||||
| 14f1d646ad76 | Axel Kohlmeyer | provide working examples for all four peridynamics models and reference outputs | Jul 14 2017 | ||||
| 3b1134c1649a | Axel Kohlmeyer | correct formatting error in peridynamics pair style docs | Jul 14 2017 | ||||
| 4d4c03a1e4f5 | Axel Kohlmeyer | restore gaussian flow example that was lost. tweak input to make it usable for… | Jul 14 2017 | ||||
| 60faca2896ee | Christian Negre | added tilt factors | Jul 14 2017 | ||||
| e5405cdb0477 | Markus Hoehnerbach | AIREBO: Add doc about OpenKIM issue | Jul 14 2017 | ||||
| 8a1db83b7306 | Axel Kohlmeyer | silence static code analysis warning | Jul 14 2017 | ||||
| a566419ca691 | Richard Berger | Add LAMMPS_LIB_SOURCE_DIR variable in CMakeLists.txt | Jul 14 2017 | ||||
| fdd3d802f06e | Richard Berger | Clean up CMakeList.txt by introducing LAMMPS_SOURCE_DIR variable | Jul 14 2017 | ||||
| a86b0d4c1b3e | Richard Berger | Add PNG library detection to CMakeList.txt | Jul 14 2017 | ||||
| 7f1789a0c44c | Christoph Junghans | cmake: add support for REAX and hence Fortran | Jul 14 2017 | ||||
| bfb449cec978 | Christoph Junghans | cmake: furhter improvments | Jul 14 2017 | ||||
| de45a46529f9 | Axel Kohlmeyer | Merge branch 'compute_rdf_dynamic' into sanitizer-changes | Jul 13 2017 | ||||
| 32ca58bdf23c | Axel Kohlmeyer | whitespace cleanup | Jul 13 2017 | ||||
| 111786e92e0f | Axel Kohlmeyer | avoid trying to free NULL pointers and reallocate storage for OpenMP, when not… | Jul 13 2017 | ||||
| 132cee984051 | Axel Kohlmeyer | protect warning printf()s to be only printed on rank 0 | Jul 13 2017 | ||||
| 609c8b1e8774 | Axel Kohlmeyer | add flag to reax/c system struct to signaling, whether OpenMP is active | Jul 13 2017 | ||||
| 9988030409f9 | sjplimp/GitHub | Merge pull request #563 from akohlmey/airebo-example | Jul 13 2017 | ||||
| fc36754ca22a | sjplimp/GitHub | Merge pull request #561 from v0i0/fix-airebo-various | Jul 13 2017 | ||||
| 3a46c34c2fa3 | sjplimp/GitHub | Merge pull request #574 from lammps/snap-virial | Jul 13 2017 | ||||
| cb935730c0b6 | Axel Kohlmeyer | Merge branch 'master' into compute_rdf_dynamic | Jul 13 2017 | ||||
| 983eb0e80dab | sjplimp/GitHub | Merge pull request #572 from junghans/data2xmovie | Jul 13 2017 | ||||
| fc6c10c9a98a | sjplimp/GitHub | Merge pull request #571 from hasanmetin/reaxc-omp-credits-update | Jul 13 2017 | ||||
| a3a0c9b144c5 | sjplimp/GitHub | Merge pull request #570 from akohlmey/collected-small-changes | Jul 13 2017 | ||||
| b64849d5748e | sjplimp/GitHub | Merge pull request #569 from ellio167/kim-install-py | Jul 13 2017 | ||||
| e58bcd8b4aa4 | sjplimp/GitHub | Merge pull request #568 from akohlmey/fix_gcmc_parallel_workaround | Jul 13 2017 | ||||
| ef2f4980e9dd | sjplimp/GitHub | Merge pull request #566 from akohlmey/compute_rdf_dynamic | Jul 13 2017 | ||||
| d3a45f6d5057 | sjplimp/GitHub | Merge pull request #560 from aershadinia/master | Jul 13 2017 | ||||
| d0cc1dfbb80c | Steve Plimpton | changes to SNAP virial from Aidan | Jul 13 2017 | ||||
| de8d417aeccd | Axel Kohlmeyer | fix off-by-one memory allocation bug | Jul 13 2017 | ||||
| 0af9203fdc99 | Axel Kohlmeyer | remove useless and incorrect neighbor list request in fix qeq/comb/omp | Jul 13 2017 | ||||
| 6b19016deb3e | Christoph Junghans | cmake: initial commit | Jul 13 2017 | ||||
| c24fca61f37a | Axel Kohlmeyer | fix possible uninitialized data access with pppm and pppm/disp | Jul 13 2017 | ||||
| 01e848387ac8 | Axel Kohlmeyer | avoid accessing uninitialized data when exiting LAMMPS early | Jul 13 2017 | ||||
| 734729b0a4d5 | Axel Kohlmeyer | avoid small memory leak with USER-REAXC + USER-OMP, spotted by GCC's address… | Jul 12 2017 | ||||
| a419c7c57c52 | Axel Kohlmeyer | update src/.gitignore for fix wall*/ees sources | Jul 12 2017 | ||||
| 69d97fa60cf0 | Axel Kohlmeyer | fix enforce2d has to be defined after fixes with enforce2d_flag set | Jul 12 2017 | ||||
| a9ff593763c7 | Axel Kohlmeyer | avoid segfault when calling enforce2d before langevin data has been initialized | Jul 12 2017 | ||||
| ddc96213255a | Axel Kohlmeyer | remove absolutely last reference to xmovie | Jul 12 2017 | ||||
| f717a70638f9 | Christoph Junghans | tools/Makefile: remove remains of data2xmovie | Jul 12 2017 | ||||
| f7f4a24930ba | Axel Kohlmeyer | whitspace cleanup | Jul 11 2017 | ||||
| 338fc2897073 | Axel Kohlmeyer | combine citeme.log entry for pair reax/c/omp and fix qeq/reax/omp | Jul 11 2017 | ||||
| 5a1e020bf01c | H. Metin Aktulga | updated the credits and citations for pair style reaxc/omp and qeq/reax/omp | Jul 11 2017 | ||||
| c8939d8df6da | Axel Kohlmeyer | clarify explanation of body style molecule in rigid fixes | Jul 11 2017 | ||||
| cdac5f496c53 | Trung Nguyen | Built 3-body short neighbor list for the 3-body kernels using per-pair cutoffs… | Jul 11 2017 |
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