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History Graph
Commit | Author | Details | Committed | ||||
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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 | ||||
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 | ||||
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 | ||||
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 | ||||
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 | ||||
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 | ||||
6b19016deb3e | Christoph Junghans | cmake: initial commit | Jul 13 2017 | ||||
433937994877 | Steve Plimpton | patch 6Jul17 | Jul 6 2017 | ||||
87af3b1fd982 | sjplimp/GitHub | Merge pull request #564 from lammps/fix-external | Jul 6 2017 | ||||
042397120500 | Axel Kohlmeyer | whitespace cleanup | Jul 6 2017 | ||||
4ee7c6f5caa8 | Axel Kohlmeyer | remove code without effect | Jul 6 2017 | ||||
7f63c09667ff | Axel Kohlmeyer | correct comment for Fix::ev_setup() | Jul 6 2017 | ||||
a5234d7aeaf5 | Axel Kohlmeyer | fix bug reported by richard berger via https://ci.lammps. | Jul 6 2017 | ||||
be8360ac4bd8 | sjplimp/GitHub | Merge pull request #562 from lammps/fix-external | Jul 5 2017 | ||||
4de9cec1b63b | Axel Kohlmeyer | make old_velocities allocation safer while retaining the test for nlocal | Jul 5 2017 | ||||
09ad29342555 | Axel Kohlmeyer | remove dead code | Jul 5 2017 | ||||
e625e7917190 | Axel Kohlmeyer | safer handling of processors w/o local atoms | Jul 5 2017 | ||||
f1088a5003dd | Axel Kohlmeyer | changes requested by @sjplimp | Jul 5 2017 | ||||
ea4f16bd79df | Steve Plimpton | additional fix external hooks for calling programs | Jul 5 2017 | ||||
d0a397d6cb2e | sjplimp/GitHub | Merge pull request #559 from lammps/fortran3 | Jul 3 2017 | ||||
f670dba3d019 | Steve Plimpton | 3rd variant of Fortran wrapper for DFTB+ calling LAMMPS | Jul 3 2017 | ||||
6fc0a94e8783 | sjplimp/GitHub | Merge pull request #524 from martok/package-meamc | Jul 3 2017 | ||||
5c0c8bb4cdbc | sjplimp/GitHub | Merge pull request #558 from lammps/intel | Jul 3 2017 | ||||
9eeb97b039f7 | sjplimp/GitHub | Merge pull request #544 from akohlmey/tip4p-triclinic | Jul 3 2017 | ||||
9ca9b5e2ffbd | Axel Kohlmeyer | add authors tag to pull request template | Jul 3 2017 | ||||
db73eca29f59 | Axel Kohlmeyer | correct example inputs for recent changes to create_bonds command | Jul 3 2017 | ||||
2d1941ed9b16 | Axel Kohlmeyer | make USER-INTEL compilable again with gcc and without OpenMP active | Jul 3 2017 | ||||
e634c5a2dec8 | Steve Plimpton | memory allocation bugfix for USER-INTEL pppm from M Brown | Jul 3 2017 | ||||
22f3db472321 | Axel Kohlmeyer | remove some dead code and prune argument lists accordingly | Jul 2 2017 | ||||
a1574fc03d87 | Axel Kohlmeyer | remove unused variables | Jul 1 2017 | ||||
d68fb1cbb82d | Axel Kohlmeyer | avoid repeated computation of deltaik and deltajk, calls to pow() | Jul 1 2017 | ||||
060e32973ef9 | Axel Kohlmeyer | another speedup by folding dsij() into meam_force() | Jul 1 2017 | ||||
a4a15f24bdc1 | Axel Kohlmeyer | fold screen() function into getscreen() and avoid some repeated operations | Jul 1 2017 | ||||
883b7aaa0efc | sjplimp/GitHub | Merge pull request #557 from lammps/create-bonds | Jun 30 2017 | ||||
1fff30af90e7 | Axel Kohlmeyer | update or create example outputs for meam and meam/c | Jun 30 2017 | ||||
a490e04d2402 | Axel Kohlmeyer | add backward compatibility item to pull request template | Jun 30 2017 | ||||
b445f8eadf67 | Axel Kohlmeyer | spell-check new additions to create_bonds doc page | Jun 30 2017 | ||||
b79044d4f60f | sjplimp/GitHub | Merge pull request #554 from jewettaij/master | Jun 30 2017 | ||||
711afe5062ff | Steve Plimpton | add single options to create_bonds command | Jun 30 2017 | ||||
3bf2c602765f | sjplimp/GitHub | Merge pull request #553 from Pakketeretet2/USER-MANIFOLD-gaussian-bump | Jun 30 2017 | ||||
d5119b2d753a | sjplimp/GitHub | Merge pull request #550 from stanmoore1/kokkos_leakfix | Jun 30 2017 | ||||
b2b621a2e18b | sjplimp/GitHub | Merge pull request #547 from akohlmey/collected-bugfixes | Jun 30 2017 | ||||
b5250d11f63c | sjplimp/GitHub | Merge pull request #545 from akohlmey/issue-and-pull-request-templates | Jun 30 2017 | ||||
9dad95d10140 | Axel Kohlmeyer | performance improvement through moving inlinable functions to header file | Jun 30 2017 | ||||
f6faad335cf5 | Axel Kohlmeyer | update documentation for nb3/harmonic pair style according to e-mail to lammps… | Jun 30 2017 | ||||
55487047006f | Sebastian Hütter | Move stateless functions to separate module, improve style | Jun 30 2017 | ||||
e0939ac79577 | Sebastian Hütter | Re-Run clang-format | Jun 30 2017 | ||||
d5921e9fb9e8 | Axel Kohlmeyer | consolidate and update error message and read_data documentation for the… | Jun 29 2017 | ||||
aa3f4b76905b | Axel Kohlmeyer | change the handling of reading "extra XXX per atom", so that the final choice… | Jun 29 2017 | ||||
38075455b674 | Andrew Jewett | new keywords for read_data: extra/X/per/atoms + changes to docs | Jun 29 2017 | ||||
fa3063546542 | Andrew Jewett | Revert "added feature to write_data.cpp to support "extra bonds" (angles… | Jun 29 2017 | ||||
0c2f7c74be34 | Andrew Jewett | added feature to write_data.cpp to support "extra bonds" (angles,dihedrals… | Jun 28 2017 | ||||
91bce7ccf95e | Stefan Paquay | Replaced std::fabs with fabs. | Jun 28 2017 | ||||
d0470799ac8b | Axel Kohlmeyer | consistently check for all per-atom-type masses being set only when per-atom… | Jun 28 2017 | ||||
076990c28a67 | Stefan Paquay | Updated Gaussian bump so that it has a better taper function. | Jun 27 2017 | ||||
661e51b6079c | Axel Kohlmeyer | remove non-ascii characters and spell check | Jun 27 2017 | ||||
d076040471ca | Axel Kohlmeyer | use itemized list instead of paragraphs for links at the top | Jun 27 2017 | ||||
2f9c0a3b8efd | Axel Kohlmeyer | more formatting issues addressed | Jun 27 2017 | ||||
b9d213ee2bfb | Axel Kohlmeyer | update formatting for contributing ToC | Jun 27 2017 | ||||
fa3c7727e103 | Axel Kohlmeyer | contributing guidelines, issue and pull request template are now feature… | Jun 27 2017 | ||||
9fec8a0470bd | Stan Moore | Remove clean_copy function from pair_vashishta_kokkos | Jun 26 2017 | ||||
b8897765572e | Stan Moore | Fixing memory leak in Kokkos neighborlist | Jun 26 2017 | ||||
8fca667e4b7f | Sebastian Hütter | Change indexing of remaining variables and locals | Jun 26 2017 | ||||
f7077d96726e | Axel Kohlmeyer | Merge branch 'collected-bugfixes' of github.com:akohlmey/lammps into collected… | Jun 26 2017 | ||||
f89a7266bfef | Axel Kohlmeyer | make USER-INTEL compilable again with gcc and without OpenMP active | Jun 26 2017 | ||||
125795566234 | Stefan Paquay | Merge branch 'master' of https://www.github.com/lammps/lammps | Jun 24 2017 | ||||
1370385c8c9f | Steve Plimpton | patch 23Jun17 | Jun 24 2017 | ||||
2240c3d7d3a8 | sjplimp/GitHub | Merge pull request #548 from lammps/doc-update | Jun 24 2017 | ||||
4fcbd58d5a32 | Steve Plimpton | doc page clarifications for CHARMM energy and dipole pre-factors | Jun 23 2017 | ||||
c2c6dc14588a | Axel Kohlmeyer | remove spurious comment line | Jun 23 2017 | ||||
18983c307e96 | Axel Kohlmeyer | fix qeq/reax/omp bugfix from metin | Jun 23 2017 | ||||
25a5d12af386 | sjplimp/GitHub | Merge pull request #541 from lammps/charmm | Jun 23 2017 | ||||
05fbf9345518 | Axel Kohlmeyer | skip deleting internal data before setup has been run | Jun 23 2017 | ||||
73b948dcfc97 | Axel Kohlmeyer | pppm must be fully reinitialized after switching to triclinic box to avoid… | Jun 23 2017 |
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