History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 8366490d0138 | Axel Kohlmeyer | convert the remaining eam styles to /omp. | Jun 5 2010 | |||
| 2b9bb6872173 | Axel Kohlmeyer | fix race conditions around master-only MPI calls. | Jun 5 2010 | |||
| 0d5eaa4d14b0 | Axel Kohlmeyer | remove unneeded code. | Jun 5 2010 | |||
| fe7e8aa5692d | Axel Kohlmeyer | add /omp version of EAM pair style. | Jun 5 2010 | |||
| 6ce32e9532b1 | Axel Kohlmeyer | mirror change to mainline code. | Jun 4 2010 | |||
| 81d6f3d6fe5b | Axel Kohlmeyer | fix another initialization bug. | Jun 4 2010 | |||
| 0efa2e254796 | Axel Kohlmeyer | per thread energy array was not properly zeroed. | Jun 4 2010 | |||
| de2c71bff4e8 | Axel Kohlmeyer | Merge branch 'lammps-awesome' into lammps-icms | Jun 3 2010 | |||
| 7eddf8caca46 | Peter Shannon | Merge branch 'lammps-icms' of github.com:Skiphex/lammps-awesome into lammps-icms | Jun 3 2010 | |||
| 06c9c6aa5a07 | Peter Shannon | minor fixes made to dihedral_harmonic_omp.cpp | Jun 3 2010 | |||
| 93d93ab985b9 | Peter Shannon | updated Install.sh in USER-OPENMP | Jun 3 2010 | |||
| 1bc519ac1323 | Ryan Houlihan | Dihedral multi harmonic with OMP implemented | Jun 3 2010 | |||
| a61bcd84c9b0 | Ryan Houlihan | Dihedral OPLS with OMP implemented | Jun 3 2010 | |||
| 5deacd952ff5 | Ryan Houlihan | Changed nnfrom and nnto to nfrom nto | Jun 3 2010 | |||
| 925783183597 | Axel Kohlmeyer | added OpenMP vers of dihedral styles to Install.sh | Jun 3 2010 | |||
| 0ddcd03c13d5 | Ryan Houlihan | Merge branch 'lammps-icms' into lammps-ryan | Jun 3 2010 | |||
| 7a98d901d064 | Ryan Houlihan | Dihedral Harmonic with OMP | Jun 2 2010 | |||
| 4e677d0faac4 | Peter Shannon | Merge branch 'lammps-axel' into lammps-icms | Jun 2 2010 | |||
| d93ffdcf4cf5 | Peter Shannon | fix minor error in pair_lj_cut_coul_long_omp.cpp | Jun 2 2010 | |||
| acb302189dab | Ryan Houlihan | Dihedral parent class with OMP implimentation | Jun 2 2010 | |||
| a9f2eb3ebcfa | Axel Kohlmeyer | reverse the order of indices in cs,sn arrays | Jun 2 2010 | |||
| 092552914b11 | Axel Kohlmeyer | nlocal is not used with charge lists. | Jun 2 2010 | |||
| 4941a30d33de | Axel Kohlmeyer | add openmp directive to force loop. | Jun 2 2010 | |||
| 0b62f0bf8572 | Axel Kohlmeyer | add omp version for ewald (not yet threaded). | Jun 2 2010 | |||
| d3f3d5a16d1d | Peter Shannon | Merge branch 'lammps-axel' into lammps-icms | Jun 2 2010 | |||
| 8445db618207 | Peter Shannon | fix minor error in pair_buck_coul_long_omp.cpp | Jun 2 2010 | |||
| 200387edc9c6 | Peter Shannon | fix minor error in pair_born_coul_long_omp.cpp | Jun 2 2010 | |||
| 1329c12adad7 | Axel Kohlmeyer | use force->numeric() instead of atof(). | Jun 2 2010 | |||
| d3342ae667b9 | Axel Kohlmeyer | add some explanations about what speed to expect | Jun 2 2010 | |||
| 563bb15ac27c | Axel Kohlmeyer | added dpd/tstat/omp and adjusted dpd/omp to it. | Jun 2 2010 | |||
| 569ff28311c5 | Axel Kohlmeyer | add multi-threaded DPD pair style. | Jun 2 2010 | |||
| 499e154aab28 | Axel Kohlmeyer | another small optimization for soft/omp. | Jun 2 2010 | |||
| e7035daa44eb | Axel Kohlmeyer | fix massive bug in soft/omp pair_style | Jun 2 2010 | |||
| 31fbc688cad8 | Peter Shannon | Re-add virtual to destructor in pair_buck_coul_cut_omp.h | Jun 1 2010 | |||
| ce23b5920f97 | Peter Shannon | Minor fixes made to pair_buck_coul_cut_omp.cpp and pair_buck_coul_cut_omp.h | Jun 1 2010 | |||
| b66c416fe927 | Axel Kohlmeyer | some minor rearrangements | Jun 1 2010 | |||
| 37665debb9f2 | Axel Kohlmeyer | add some tersoff potential optimizations | Jun 1 2010 | |||
| ec523ee3ef3b | Axel Kohlmeyer | added OpenMP versions of tersoff and tersoff/zbl | May 31 2010 | |||
| 2b9abca74b86 | Axel Kohlmeyer | need to call thread-safe tally function. | May 31 2010 | |||
| 6641c3b0abe9 | Axel Kohlmeyer | Update README. | May 31 2010 | |||
| fdc835377291 | Axel Kohlmeyer | update Install.sh to current state. reordered. | May 31 2010 | |||
| 266fef3baae8 | Axel Kohlmeyer | added OpenMP version of non-charged cg/cmm style. | May 31 2010 | |||
| e2d5014a5a2c | Axel Kohlmeyer | remove executable permissions from c++ sources | May 29 2010 | |||
| 8522946f91fa | Axel Kohlmeyer | Merge branch 'openmp-pair-styles' into lammps-icms | May 29 2010 | |||
| e70e9e49e1d4 | Axel Kohlmeyer | Merge branch 'lammps-awesome' into lammps-icms | May 29 2010 | |||
| 037ef2ae6aa7 | Axel Kohlmeyer | finish OpenMP version of AIREBO. test looks ok. | May 29 2010 | |||
| 93e95bf1f32f | Ryan Houlihan | Added a #include <omp.h> | May 28 2010 | |||
| e5ead4f83489 | Ryan Houlihan | Leonard Jones Gromacs with OMP | May 28 2010 | |||
| 98f60f404a47 | Ryan Houlihan | Leonard Jones Expand with OMP | May 28 2010 | |||
| a8d74088fdfa | Ryan Houlihan | Leonard Jones Gromacs Coul Gromacs with OMP | May 28 2010 | |||
| d9249100f52d | Ryan Houlihan | USER-OPENMP/pair_lj_expand_omp.cpp | May 28 2010 | |||
| 958617331708 | Axel Kohlmeyer | perform various optimizations to AIREBO/omp. | May 28 2010 | |||
| 56540fdd9abf | Axel Kohlmeyer | added templated constants to FREBO method. | May 28 2010 | |||
| 5535101208da | Ryan Houlihan | Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps… | May 28 2010 | |||
| 8b407c4846b5 | rhouliha | Lennoard Jones potental cut coul long with OMP | May 28 2010 | |||
| 83cfeb82d47d | Axel Kohlmeyer | all newton_pair need to be NEWTON_PAIR constants. | May 28 2010 | |||
| ba85f87df241 | Axel Kohlmeyer | add more thread-safe tally functions | May 28 2010 | |||
| 68a8fc17633d | Axel Kohlmeyer | add OMP variants of AIREBO potentials. no OpenMP. | May 28 2010 | |||
| fd271bd09885 | Axel Kohlmeyer | extend templated constants to twobody & threebody | May 28 2010 | |||
| df90a73a4805 | Axel Kohlmeyer | add multi-threaded stillinger-weber pair style | May 28 2010 | |||
| 106f0354a986 | Axel Kohlmeyer | add thread safe version of ev_tally3() | May 28 2010 | |||
| 9de98b76c4c1 | Peter Shannon | Changes made to USER-OPENMP/Install.sh again | May 27 2010 | |||
| aa58e10ae8bd | Peter Shannon | Changes made to USER-OPENMP/Install.sh | May 27 2010 | |||
| 82b8f7aa1653 | Peter Shannon | Addition of pair_yukawa_omp(.cpp/.h) | May 27 2010 | |||
| bf17fefd0671 | Peter Shannon | Addition of pair_soft_omp(.cpp/.h) | May 27 2010 | |||
| b436992f6713 | Peter Shannon | Addition of pair_morse_omp(.cpp/.h) | May 27 2010 | |||
| ee981f70b9da | Peter Shannon | Addition of pair_lj_smooth_omp(.cpp/.h) | May 27 2010 | |||
| dbd08d56a5b1 | Peter Shannon | Addition of pair_lj_cut_coul_cut_omp(.cpp/.h) and pair_lj_cut_coul_debye_omp(. | May 27 2010 | |||
| 4eb40cc527a8 | Peter Shannon | Addition of pair_lj_charmm_coul_charmm_omp(.cpp/.h) | May 27 2010 | |||
| 9739852a0949 | Peter Shannon | Addition of pair_lj_charmm_coul_charmm_implicit_omp(.cpp/.h) | May 27 2010 | |||
| 5fa3ca72b965 | Peter Shannon | Merge branch 'lammps-icms' of github.com:Skiphex/lammps-awesome into lammps-icms | May 27 2010 | |||
| a04413faeda9 | Peter Shannon | Addition of pair_lj96_cut_omp(.cpp/.h) | May 27 2010 | |||
| e75489d94fac | rhouliha | coul_long with OMP | May 27 2010 | |||
| 0df846b93291 | rhouliha | coul_diel with OMP | May 27 2010 | |||
| db6f79e29529 | rhouliha | coul_debye with OMP | May 27 2010 | |||
| 86979564f2de | rhouliha | Buckingham potential coul long with OMP | May 27 2010 | |||
| b4401ba9ed96 | Peter Shannon | Addition of pair_born_coul_long_omp(.cpp/.h) | May 27 2010 | |||
| 681c23db5078 | rhouliha | Buckingham coul cut with OMP | May 27 2010 | |||
| 662dc64b5fe1 | Peter Shannon | Addition of pair_buck_omp(.cpp/.h) | May 27 2010 | |||
| 89a04320a2f7 | Peter Shannon | Merge branch 'lammps-axel' into lammps-icms | May 27 2010 | |||
| eb095b1698a6 | Axel Kohlmeyer | force spline table build for spline interpolation. | May 27 2010 | |||
| 4f3da1818fb0 | Peter Shannon/Skiphex <Skiphex> | Addition of pair_coul_cut_omp(.cpp/.h) to USER-OPENMP | May 27 2010 | |||
| d62cf558675b | Axel Kohlmeyer | implement OpenMP support and templated innerloops. | May 26 2010 | |||
| 354ea7626f6f | Axel Kohlmeyer | declare virtual what is virtual in the base class | May 26 2010 | |||
| 9511645411b8 | Axel Kohlmeyer | added preliminary version of pair_style table/omp | May 26 2010 | |||
| dc5aec4a1cac | Axel Kohlmeyer | added OpenMP version of the gauss potential. | May 25 2010 | |||
| c22dd41ec879 | Axel Kohlmeyer | fix bug in eval_middle() for lj/cut. forgot offset. | May 22 2010 | |||
| d4ebf4049d23 | Axel Kohlmeyer | more repetitive thread setup support to header | May 22 2010 | |||
| fb76cb432563 | Axel Kohlmeyer | add brackets since omp barrier pragma must precede a single statement | May 8 2010 | |||
| ebe8ae71ff95 | Axel Kohlmeyer | add OpenMP version of CHARMM pair potential with long range coulomb | May 6 2010 | |||
| 61e202bc9519 | Axel Kohlmeyer | enable r-RESPA. it is implemented but untested. | May 6 2010 | |||
| da8e879177f0 | Axel Kohlmeyer | move the force reduction to a (inlined) method in the PairOMP parent class. | May 2 2010 | |||
| 321f9ac6008e | Axel Kohlmeyer | implement "template trick" to speed up lj/cut/omp. | May 2 2010 | |||
| e5dea25ad19c | Axel Kohlmeyer | declared all methods virtual that were set to virtual in the pair base class. | May 2 2010 | |||
| 5bcacdad8bf1 | Axel Kohlmeyer | added openmp parallelisation to r-RESPA compute methods. | Apr 29 2010 | |||
| dc0de1a1da06 | Axel Kohlmeyer | implement OpenMP multi-threading for lj/cut/omp with verlet. | Apr 29 2010 | |||
| c1ea64012c29 | Axel Kohlmeyer | change OpenMP base pair class and lj/cut/omp class to call the threading setup… | Apr 29 2010 | |||
| e7cf9761fb0d | Axel Kohlmeyer | added a version of the lj/cut pair style that is derived from PairOMP instead… | Apr 28 2010 | |||
| 54556bbdc232 | Axel Kohlmeyer | added user-openmp package and implemented base pair class for threaded pair… | Apr 28 2010 |
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