History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| ad2ccf6f2725 | Axel Kohlmeyer | implement vashishta/table/omp in USER-OMP | Sep 8 2016 | |||
| a46098c89982 | Steve Plimpton/Axel Kohlmeyer | undo changes to vashishita/omp | Sep 8 2016 | |||
| 4a7d389f42a4 | Axel Kohlmeyer | optimize twobody term by passing a const reference instead of a pointer | Aug 28 2016 | |||
| 3ca518703c83 | Axel Kohlmeyer | updated and slightly refactored tabulation for vashishta pair style | Aug 28 2016 | |||
| 67ded259f270 | Axel Kohlmeyer | Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into… | Aug 28 2016 | |||
| 84d0bed33b56 | Axel Kohlmeyer | enforce C or POSIX locale in all shell scripts and turn of enforced global grep… | Aug 27 2016 | |||
| 233a1c3e84a3 | Anders Hafreager | Added 3-body neighbor list building for faster short range 3 body forces. | Aug 17 2016 | |||
| 08228bd62d12 | Anders Hafreager | Added tabulated version of vashishta potential | Aug 17 2016 | |||
| ad652c9b82b0 | Axel Kohlmeyer | port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp | Aug 9 2016 | |||
| ca1050f5875b | Axel Kohlmeyer | delete redundant code and add comment to avoid doing this in the future | Aug 4 2016 | |||
| b3664c217b1e | Axel Kohlmeyer | port code from serial implementation to /omp version | Aug 3 2016 | |||
| 3080bb534113 | Axel Kohlmeyer | provide better informative messages when OMP_NUM_THREADS is not set or code was… | Jul 28 2016 | |||
| f0d1800734ed | Axel Kohlmeyer | Merge branch 'merge-pull-124' into lammps-icms | Jul 27 2016 | |||
| ef05a24f8773 | Axel Kohlmeyer | port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp | Jul 27 2016 | |||
| c3473f7ca805 | Axel Kohlmeyer | some small tweaks and fixes to fix_n*_sphere*.cpp files | Jul 26 2016 | |||
| 5519b38bd9ba | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 17 2016 | |||
| 778ae37e6e53 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15338 f3b2605a-c512-4ea7… | Jul 17 2016 | |||
| 1111c8ba93c9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15337 f3b2605a-c512-4ea7… | Jul 17 2016 | |||
| 2705ddcaab9c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15323 f3b2605a-c512-4ea7… | Jul 16 2016 | |||
| cca89b7cb2dd | Axel Kohlmeyer | make fix wall/gran/omp compile again | Jul 14 2016 | |||
| 8213a5d6e8e5 | Axel Kohlmeyer | port changes to fix wall/gran to fix wall/gran/omp | Jul 14 2016 | |||
| a33753ae6f46 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7… | Jul 9 2016 | |||
| 5284d2d7df33 | Axel Kohlmeyer | adjust shear history based /omp pair styles for support of newton pair on | Jul 7 2016 | |||
| d55f968432a4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… | Jun 18 2016 | |||
| 101a1a459a04 | Axel Kohlmeyer | add respa level support to a large number of fixes | Jun 16 2016 | |||
| 92371fbdaffc | Axel Kohlmeyer | tweak output for respa levels | Jun 15 2016 | |||
| ffd1418c2d13 | Axel Kohlmeyer | remove redundant line of output | Jun 14 2016 | |||
| 425f6537ec2a | Axel Kohlmeyer | update respa information (print time step for all levels), adjusted fix respa… | Jun 14 2016 | |||
| 0f3e4182e869 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… | Jun 7 2016 | |||
| a9b7c62a0602 | Axel Kohlmeyer | bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp… | Jun 3 2016 | |||
| 15068b635478 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7… | Jun 2 2016 | |||
| 7b8a96ee8cef | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jun 1 2016 | |||
| 876b033ea862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… | May 31 2016 | |||
| 04e401ae4ba7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7… | May 31 2016 | |||
| 22d18007c54c | Axel Kohlmeyer | another set of changes to appease coverity scan and to ensure proper… | May 22 2016 | |||
| dae561063d68 | Axel Kohlmeyer | enforce initialization of variables to reduce false positives in coverity | May 19 2016 | |||
| 4c07a99a7a88 | Axel Kohlmeyer | make certain, that per atom storage is consistently allocated for per-atom… | May 13 2016 | |||
| c75cc25d6c7b | Axel Kohlmeyer | tally REBO, LJ and TORSION energy terms into separate accumulators accessible… | May 12 2016 | |||
| c5b34d683dd8 | Axel Kohlmeyer | make airebo code safer against division by zero | May 12 2016 | |||
| 5f86c15dd224 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7… | Apr 27 2016 | |||
| ec9977f78821 | Axel Kohlmeyer | apply bugfix for neighbor list flag to package omp | Apr 22 2016 | |||
| 8e36364f5cea | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7… | Apr 7 2016 | |||
| 5fb8bad60e5d | Axel Kohlmeyer | small updates to address issues flagged by coverity scan | Mar 29 2016 | |||
| 40a438575d6f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
| 89e3f5b5a2c4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7… | Mar 22 2016 | |||
| 36776f425b93 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… | Mar 21 2016 | |||
| d4f56129049c | Axel Kohlmeyer | pair style rebo/morse makes no sense. removed. | Mar 15 2016 | |||
| 906ebc261e71 | Axel Kohlmeyer | Integrate AIREBO-M by merging it into regular AIREBO and building wrapper… | Mar 15 2016 | |||
| 61c0608ffa7e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7… | Mar 14 2016 | |||
| ca56f521f43c | Axel Kohlmeyer | adapt attribution to usual LAMMPS style | Mar 11 2016 | |||
| c80fb4b8ea06 | Axel Kohlmeyer | Merge branch 'pair-morse-smooth-linear-omp' of https://github. | Mar 11 2016 | |||
| b6355a077241 | Stefan Paquay | Done making changes. | Mar 11 2016 | |||
| e58b10fa8121 | Axel Kohlmeyer | fix bug in lj/charmm/coul/charmm reported on lammps-users | Mar 11 2016 | |||
| 116403443ad2 | Axel Kohlmeyer | remove customization no longer needed when using fastdep | Mar 6 2016 | |||
| f37a13e6b0f9 | Axel Kohlmeyer | need to manually touch neighbor.cpp for packages providing custom neighbor… | Feb 29 2016 | |||
| c0779472855e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14446 f3b2605a-c512-4ea7… | Jan 15 2016 | |||
| 02884d27131e | Axel Kohlmeyer | remove tri/lj/omp due to data races. | Jan 15 2016 | |||
| 6191b6515eaf | Axel Kohlmeyer | delete pair_style line/lj/omp in anticipation of it being broken with the next… | Jan 15 2016 | |||
| 0939eb1ee963 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
| de060a56ad58 | Axel Kohlmeyer | Merge branch 'merge-pull-22' into lammps-icms | Dec 11 2015 | |||
| 526e5b74647e | Axel Kohlmeyer | Merge branch 'pull-requests' of git://github.com/crtrott/lammps into merge-pull… | Dec 11 2015 | |||
| 4099f540dd26 | crtrott | Fix an issue with usage of isfinite | Dec 10 2015 | |||
| 86a4507b00c1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7… | Dec 10 2015 | |||
| b2a75f111c35 | Axel Kohlmeyer | transfer updates from angle style dipole to dipole/omp | Dec 10 2015 | |||
| 7bb39e299685 | Axel Kohlmeyer | move lj/cut/thole/long/omp into USER-OMP directory, so it is properly installed… | Nov 24 2015 | |||
| 1e9a4cc4b808 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Oct 31 2015 | |||
| 354e20f43157 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
| 704936880c53 | Axel Kohlmeyer | consolidate timeout initialization into run/minimize commands | Oct 25 2015 | |||
| 9be09f5ddf3a | Axel Kohlmeyer | reimplement wallclock timeout in timer class instead of update. | Oct 25 2015 | |||
| cfbe572aa5a7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
| cee848f94865 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… | Oct 23 2015 | |||
| 9a878cdd6718 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… | Oct 21 2015 | |||
| bf26b12668a4 | athomps | Added vashishta to USER-OMP from Axel | Oct 21 2015 | |||
| 719d04945290 | Axel Kohlmeyer | add OpenMP version of newly added vashishta potential | Oct 16 2015 | |||
| 834731ddb4f4 | athomps | Propoaged SW cutoff fix into similar code elsewhere | Oct 15 2015 | |||
| 6d2e43cb8016 | Axel Kohlmeyer | propagate aidan's bugfix to pair sw to other sw based styles. | Oct 15 2015 | |||
| 99e3bbbb5031 | Axel Kohlmeyer | remove dead code | Oct 15 2015 | |||
| 373c7faf5d0a | Axel Kohlmeyer | add API to run fixes before the reverse communication following the force… | Oct 14 2015 | |||
| e423579d40f8 | Axel Kohlmeyer | detect and handle if number of threads has been changed | Oct 14 2015 | |||
| 47dff86b8412 | Axel Kohlmeyer | remove dead code | Oct 12 2015 | |||
| f375bb68a4ba | Axel Kohlmeyer | propagate using time limit for multiple integrator and minimizer variants | Oct 9 2015 | |||
| 5fa97f537abd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7… | Oct 5 2015 | |||
| 56ee1b670b3b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7… | Oct 5 2015 | |||
| d423c1c994ef | Axel Kohlmeyer | remove redundant test | Oct 3 2015 | |||
| b15731f3f1e4 | Richard Berger | Init member correctly and use delete without redundant NULL check | Oct 2 2015 | |||
| aad9b19de0d1 | Axel Kohlmeyer | plug memory leak on thread data class | Oct 1 2015 | |||
| 14afbbb1f0d6 | Axel Kohlmeyer | remove left over local const variable. | Sep 30 2015 | |||
| 1583b88406b9 | Axel Kohlmeyer | plug memory leak and incorrect handling of pRNGs for changing number of threads… | Sep 30 2015 | |||
| 6884d7dd2d02 | Axel Kohlmeyer | fix typo | Sep 29 2015 | |||
| 1ee0f5e15d08 | Axel Kohlmeyer | remove dead code | Sep 29 2015 | |||
| e40595b2bc7b | Axel Kohlmeyer | synchronize multi-full neighborlist for OpenMP with serial code. | Sep 29 2015 | |||
| 70d3f68ab7e9 | Axel Kohlmeyer | fix typo detected by coverity scan | Sep 29 2015 | |||
| 30a0f3cf5c7c | Axel Kohlmeyer | remove ambiguity on else branch which implied npath == 4 | Sep 29 2015 | |||
| 3e53da15da85 | Axel Kohlmeyer | fix uninitialized type error in AIREBO | Sep 28 2015 | |||
| c8077dd2dea4 | Axel Kohlmeyer | correct cut-n-paste errors | Sep 27 2015 | |||
| 474daec73e6d | Axel Kohlmeyer | add missing parenthesis. fixes CID 151102. | Sep 27 2015 | |||
| 9effcca0df71 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7… | Sep 11 2015 | |||
| 62384bb1b8db | Axel Kohlmeyer | fix memory leak and NULL pointer dereference in dpd/omp and dpd/tstat/omp | Sep 10 2015 | |||
| c503b8736d38 | Axel Kohlmeyer | undo cosmetic differences between LAMMPS-ICMS and LAMMPS | Sep 3 2015 | |||
| 77ab06d3eeba | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 1 2015 |
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