lammps/srcmaster
lammps/src
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
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df8dbec67653 | Tonnam Balankura | rename pair_zhou to pair_momb in src and change class name from PairZhou to… | Mar 23 2017 | |||
daae76c46505 | Tonnam Balankura | Add names Tonnam and Ya to README | Mar 22 2017 | |||
1ea9a14121ca | Tonnam Balankura | Add Tonnam and Ya names | Mar 22 2017 | |||
dc1d93a49108 | Axel Kohlmeyer | some more whitespace cleanup | Mar 22 2017 | |||
cb9059652daa | Axel Kohlmeyer | a few more small changes to integrate pair style zhou properly | Mar 22 2017 | |||
43f27250b5a5 | Axel Kohlmeyer | Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417 | Mar 22 2017 | |||
af0b5b0e84e1 | Oliver Henrich | Removed dead code | Mar 22 2017 | |||
743508437575 | Oliver Henrich | Verified oxDNA with modified nucleotide layout | Mar 22 2017 | |||
dcede304dff9 | Steve Plimpton | changes for next patch, 2d disc options for spheres, fix external upgrade, bug… | Mar 21 2017 | |||
554531a302d7 | Axel Kohlmeyer | update permissions | Mar 20 2017 | |||
5b842f0010a7 | dstelter92 | Teff and exchange bugfix, as per Greg Dignon to match python examples | Mar 20 2017 | |||
b6ecfb91c447 | Tonnam Balankura | deleted pair_zhou in main/src (moved to USER-MISC) | Mar 19 2017 | |||
2ab77caa8bed | Tonnam Balankura | adapt to LAMMPS coding style | Mar 19 2017 | |||
da81531906d3 | Tonnam Balankura | move pair_zhou to USER-MISC and update USER-MISC/README | Mar 19 2017 | |||
5be32f5d8d6b | Tonnam Balankura | remove pair_zhou from Makefile.list | Mar 19 2017 | |||
4a90bca7a3b4 | Steve Plimpton | patch 17Mar17 | Mar 17 2017 | |||
9f35b764f8cc | sjplimp/GitHub | Merge pull request #424 from timattox/dpd_restart_fix | Mar 17 2017 | |||
7ca5dce2f56c | sjplimp/GitHub | Merge pull request #423 from timattox/master_bugfix_irregular | Mar 17 2017 | |||
fcc3b3bd365d | sjplimp/GitHub | Merge pull request #421 from akohlmey/memory-output | Mar 17 2017 | |||
a936b7b2ab27 | sjplimp/GitHub | Merge pull request #419 from rbberger/python_fixes | Mar 17 2017 | |||
d31c591b60f7 | Stan Moore | Remove unneeded restart_peratom flags | Mar 17 2017 | |||
ae5ebf600189 | Axel Kohlmeyer | add support for MPI_Request_free() to MPI STUBS library | Mar 17 2017 | |||
7fb741d53da8 | Axel Kohlmeyer | Revert "In irregular.cpp use simpler and slightly faster… | Mar 17 2017 | |||
8e75616c144d | Tim Mattox | In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block() | Mar 17 2017 | |||
411c069ba66f | Tim Mattox | BUGFIX: Prevent possible deadlock in Irregular::create_atom and create_data | Mar 17 2017 | |||
ac82d041cc44 | Axel Kohlmeyer | ignore package pair style | Mar 17 2017 | |||
070ce33a13df | Axel Kohlmeyer | improve memory usage reporting in info and output class | Mar 16 2017 | |||
f604f86cfcd4 | Axel Kohlmeyer | add fix filter/corotate to some administrative files | Mar 16 2017 | |||
1995f434f3d3 | Axel Kohlmeyer | fix some more code formatting issues, add newline at EOF | Mar 16 2017 | |||
2f5e711acd82 | lukin17 | Merge remote-tracking branch 'upstream/master' into filter_corotate | Mar 16 2017 | |||
bdb7669e2742 | lukin17 | Fixed coding style. | Mar 16 2017 | |||
a210867025e1 | Richard Berger | Fixes lammps_create_atoms library function and its Python interface variant | Mar 16 2017 | |||
3a2da51a8210 | sjplimp/GitHub | Merge pull request #413 from ohenrich/user-cgdna | Mar 15 2017 | |||
ec1778b586b8 | Tonnam Balankura | add pair_zhou | Mar 15 2017 | |||
c3ce3747e049 | lukin17 | Added fix filter/corotate. | Mar 15 2017 | |||
580f6b567b12 | Stan Moore | Add neigh/qeq option to Kokkos | Mar 14 2017 | |||
7a75cd111c3d | Oliver Henrich | Minor updates in documentation and setup tool, merge before upgrade to oxDNA2 | Mar 14 2017 | |||
f871ecdc67db | Steve Plimpton | change to RCB cuts in load-balancing commands, also a new option for fix halt | Mar 10 2017 | |||
470353e32080 | sjplimp/GitHub | Merge pull request #408 from giacomofiorin/colvars-update-2017-03-10 | Mar 10 2017 | |||
ffe02d20ca83 | sjplimp/GitHub | Merge pull request #406 from stanmoore1/kokkos_bugfix | Mar 10 2017 | |||
07fcfd6d54a1 | sjplimp/GitHub | Merge pull request #405 from stanmoore1/ev_setup_kk | Mar 10 2017 | |||
c97feafca6ac | sjplimp/GitHub | Merge pull request #407 from frobnitzem/master | Mar 10 2017 | |||
5fe620663813 | Giacomo Fiorin | Update Colvars module to version 2017-03-10 | Mar 10 2017 | |||
65964f3b31ea | David M. Rogers | Add error check to lammps_gather_atoms/lammps_scatter_atoms in library.cpp | Mar 9 2017 | |||
b28b84d444a4 | Stan Moore | Fix half from full nlist issue with Kokkos | Mar 9 2017 | |||
a001a5ceb0c4 | Stan Moore | Fixing memory overflow issue in comm_kokkos | Mar 9 2017 | |||
2ef713ea1b49 | Axel Kohlmeyer | restore incorrect change due to spell checking in fix imd | Mar 8 2017 | |||
1f6c1942b37e | Stan Moore | Disable allocation of per-atom arrays in ev_setup for Kokkos styles | Mar 8 2017 | |||
683023d8203f | Stan Moore | Adding alloc flag to ev_setup | Mar 8 2017 | |||
42d3a8f4982d | Tim Mattox | Fix spelling "correction" from 3a054d1a: iterations not interactions. :-) | Mar 7 2017 | |||
79b005dc3d5f | Steve Plimpton | patch 7Mar17 | Mar 7 2017 | |||
a2fa6ef4524c | sjplimp/GitHub | Merge pull request #393 from akohlmey/small-bugfixes | Mar 7 2017 | |||
920641bbffbc | sjplimp/GitHub | Merge pull request #399 from rbberger/docs_spelling_fixes | Mar 7 2017 | |||
c2aabdec229c | sjplimp/GitHub | Merge pull request #398 from stanmoore1/kokkos_changes | Mar 7 2017 | |||
e4aa735a6809 | sjplimp/GitHub | Merge pull request #395 from timattox/USER-DPD_bugfix | Mar 7 2017 | |||
4af6557568e7 | sjplimp/GitHub | Merge pull request #394 from jaapkroe/kolmogorov-crespi | Mar 7 2017 | |||
0798885bdb2a | sjplimp/GitHub | Merge pull request #389 from akohlmey/update-agni-potential | Mar 7 2017 | |||
d6866f1cfdd7 | sjplimp/GitHub | Merge pull request #376 from v0i0/airebo-bondorderLJ-fixes | Mar 7 2017 | |||
efaa4c67109f | Steve Plimpton | new neigh_modify exclude option, other SNAP changes | Mar 7 2017 | |||
3a054d1a82b2 | Richard Berger | Fix more typos in src files | Mar 7 2017 | |||
7dd60f97377a | Richard Berger | Fix typos in src files | Mar 6 2017 | |||
e261bef7bba7 | Richard Berger | Spelling fixes in source files | Mar 6 2017 | |||
6382d3c89a2f | Stan Moore | Improving memory access in comm_kokkos | Mar 3 2017 | |||
763a00e8b02e | Tim Mattox | USER-DPD: pair_multi_lucy_rx bugfix for systems with multiple atom types | Mar 3 2017 | |||
ce1a3f25e193 | Axel Kohlmeyer | Merge branch 'pair_write_fix' of https://github.com/andeplane/lammps into small… | Mar 3 2017 | |||
eaf7ed770750 | Anders Hafreager | Print error if pair_write does not get correct number of arguments | Mar 3 2017 | |||
9a560b90914c | Tim Mattox | USER-DPD bugfix: make atom_vec_dpd work properly with atom_vec_hybrid. We were… | Mar 1 2017 | |||
8a0e44db83de | Jaap Kroes | updated documentation and ev_tally | Mar 1 2017 | |||
1dc78a7e58c8 | Tim Mattox | USER-DPD: correct off-by-one errors in PairMultiLucyRX::coeff() | Feb 28 2017 | |||
7a593c2fc886 | Tim Mattox | USER-DPD: correct off-by-one errors in PairTableRX::coeff() | Feb 28 2017 | |||
3605208a45bb | Axel Kohlmeyer | add a few more missing details for integrating pair style kolmogorov/crespi/z | Feb 28 2017 | |||
323570c92036 | Jaap Kroes | added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in… | Feb 28 2017 | |||
df13a7a00382 | Jaap Kroes | email added | Feb 28 2017 | |||
a1b40b902d3e | Jaap Kroes | Added Kolmogorov-Crespi potential | Feb 28 2017 | |||
b921b69f4792 | Axel Kohlmeyer | implement bugfix from issue #388 | Feb 28 2017 | |||
c0cf50bce551 | Axel Kohlmeyer | trigger recomputing ichunk between runs unless requested otherwise | Feb 28 2017 | |||
a18b4ef4b0cf | Axel Kohlmeyer | update AGNI potential for Al, reference runs and output and citation | Feb 24 2017 | |||
3626496c7c6a | Oliver Henrich | Corrected comment in 3' to 5' directionality check | Feb 22 2017 | |||
49e83b434800 | Steve Plimpton | patch 21Feb17 sync with GHub | Feb 22 2017 | |||
6e89ccd522f5 | sjplimp/GitHub | Merge pull request #385 from akohlmey/collected-small-bugfixes | Feb 21 2017 | |||
3dbbea342a3b | Steve Plimpton | remove a debug print line | Feb 21 2017 | |||
b70c670aac56 | sjplimp/GitHub | Merge pull request #383 from stanmoore1/rshan_class2_kk | Feb 21 2017 | |||
1d17cae407ff | sjplimp/GitHub | Merge pull request #382 from timattox/master_kokkos_neigh_bugfix | Feb 21 2017 | |||
d001a093455b | sjplimp/GitHub | Merge pull request #379 from ndtrung81/pppm-gpu-compute-group-group | Feb 21 2017 | |||
cb9d42da0896 | sjplimp/GitHub | Merge pull request #378 from timattox/USER-DPD_ssa_update | Feb 21 2017 | |||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | |||
a88136c3f50d | Axel Kohlmeyer | correct a logic bug in fix wall/gran/region | Feb 17 2017 | |||
5f93fad012d8 | Stan Moore | Add copymode protection to class2 styles | Feb 15 2017 | |||
c6c1852b3b1a | Stan Moore | Fix a few issues with Kokkos class2 files | Feb 15 2017 | |||
69a8e19dc5eb | Stan Moore | Add files from Ray Shan for Kokkos version of class2 angle, bond, etc. | Feb 15 2017 | |||
928947dcea24 | Tim Mattox | neighbor_kokkos.cpp: Don't call grow() on neighbor lists that are copies. This… | Feb 15 2017 | |||
904609a7a3a5 | Markus Hoehnerbach | Fixed issue with switching function derivative in PairAIREBO::FLJ | Feb 15 2017 | |||
fc3505fac47d | Markus Hoehnerbach | Fixed a number of issues after verifying against the KIM version | Feb 15 2017 | |||
20806dd86acf | Trung Nguyen | Fixed bugs with pppm/gpu when used with compute group/group | Feb 14 2017 | |||
15008c9d1889 | Tim Mattox | USER-DPD: performance optimizations to ssa_update() in fix_shardlow Overall… | Feb 13 2017 | |||
a323ca1edd79 | Markus Hoehnerbach | Moved variable declarations to front for consistency | Feb 13 2017 | |||
de4af6f15d6a | Markus Hoehnerbach | In PairAIREBO::bondorderLJ correct omega sum d/drij. | Feb 13 2017 | |||
0e16dc3ead0b | Markus Hoehnerbach | In PairAIREBO::bondorderLJ: p^sigma pi account for d/drij derivatives. | Feb 13 2017 | |||
1b3f6e257a88 | Markus Hoehnerbach | In PairAIREBO::bondorderLJ only compute torsion term once. | Feb 13 2017 | |||
cb982f2f28ab | Steve Plimpton | sync 13Feb17 patch back to GH | Feb 13 2017 |
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