Graphlammm-master-deprecated
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lammm-master-deprecated
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 037ef2ae6aa7 | Axel Kohlmeyer | finish OpenMP version of AIREBO. test looks ok. | May 29 2010 | ||||
| dd9cee0cec9a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4210 f3b2605a-c512-4ea7… | May 29 2010 | ||||
| 09d053f4afd5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4209 f3b2605a-c512-4ea7… | May 29 2010 | ||||
| 6346fffd302f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4208 f3b2605a-c512-4ea7… | May 29 2010 | ||||
| 47cb8389e0c7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4207 f3b2605a-c512-4ea7… | May 29 2010 | ||||
| d17da089812f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4206 f3b2605a-c512-4ea7… | 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 | ||||
| 96b6ca6bb227 | Axel Kohlmeyer | added test example input for AIREBO. | May 28 2010 | ||||
| 2ad484b8e6a0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4204 f3b2605a-c512-4ea7… | May 28 2010 | ||||
| d8f98c9ebbc0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4202 f3b2605a-c512-4ea7… | May 28 2010 | ||||
| 0e6e7f7dd097 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4201 f3b2605a-c512-4ea7… | May 28 2010 | ||||
| 9cc484b7eddb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4200 f3b2605a-c512-4ea7… | May 28 2010 | ||||
| ec907ca08fda | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4199 f3b2605a-c512-4ea7… | May 28 2010 | ||||
| 56540fdd9abf | Axel Kohlmeyer | added templated constants to FREBO method. | May 28 2010 | ||||
| 581135acccfd | Axel Kohlmeyer | added test example for stillinger-weber potential. | May 28 2010 | ||||
| b77b17dc01d5 | Axel Kohlmeyer | ignore one more pair style in src. | 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 | ||||
| 2a78a0c26eae | Axel Kohlmeyer | add newly added optional files to .gitignore | 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 | ||||
| 411873063043 | Axel Kohlmeyer | add more (optional) files to .gitignore. | May 27 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 | ||||
| c4fec84feb97 | Axel Kohlmeyer | .gitignore is whitespace sensitive. eeeek. | May 27 2010 | ||||
| 89e1ab870e75 | Axel Kohlmeyer | potential table file for tabulated potential test. | May 27 2010 | ||||
| f28b103beec3 | Axel Kohlmeyer | improved & expanded test for tabulated potentials | May 27 2010 | ||||
| 34fa65702b26 | Axel Kohlmeyer | include debuginfo when compiling debug version | May 27 2010 | ||||
| eb095b1698a6 | Axel Kohlmeyer | force spline table build for spline interpolation. | May 27 2010 | ||||
| 3c5ddb2cc0fb | Axel Kohlmeyer | force spline table build for spline interpolation. | May 27 2010 | ||||
| 96c449abeb74 | Axel Kohlmeyer | need to include string.h. | May 27 2010 | ||||
| 4f3da1818fb0 | Peter Shannon/Skiphex <Skiphex> | Addition of pair_coul_cut_omp(.cpp/.h) to USER-OPENMP | May 27 2010 | ||||
| b857e3e45e3a | Axel Kohlmeyer | update TODO list for LAMMPS-OpenMP support. | May 27 2010 | ||||
| aca71b7dbd05 | Axel Kohlmeyer | add test input for tabulated potentials. | May 26 2010 | ||||
| f5126f6f3a83 | Axel Kohlmeyer | ignore recently added optional files in src dir. | May 26 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 | ||||
| 23c4f8738d66 | Axel Kohlmeyer | add input example for ewald/cg. | May 26 2010 | ||||
| 314d4e9b28ac | Axel Kohlmeyer | added ewald/cg style for systems with few charges. | May 26 2010 | ||||
| 29d4d1ca7ffe | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | May 26 2010 | ||||
| 1e08d611a908 | Axel Kohlmeyer | cannot compute fft timings when data set too small | May 26 2010 | ||||
| a93318d2c2d5 | Axel Kohlmeyer | added support for the Dfti FFT interface in MKL. | May 26 2010 | ||||
| 5b69d29c78d2 | Axel Kohlmeyer | use more /omp styles in test examples. | May 26 2010 | ||||
| 775055422c66 | Axel Kohlmeyer | revert to in-place FFTs and using FFTW_ESTIMATE. | May 26 2010 | ||||
| fb88ac682f52 | Axel Kohlmeyer | update gauss/cut log files with up-to-date compile. | May 26 2010 | ||||
| d2066481d604 | Axel Kohlmeyer | remove replicate command from example. | May 26 2010 | ||||
| c3e31f74f649 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4198 f3b2605a-c512-4ea7… | May 25 2010 | ||||
| 9d75229242d3 | Axel Kohlmeyer | add one more gauss-diel example | May 25 2010 | ||||
| 188a47f86a26 | Axel Kohlmeyer | added documentation for gauss/cut/omp. | May 25 2010 | ||||
| dc5aec4a1cac | Axel Kohlmeyer | added OpenMP version of the gauss potential. | May 25 2010 | ||||
| b6859c71f646 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | May 25 2010 | ||||
| 5a4da81ed2d0 | Axel Kohlmeyer | added proper fftw3 support for re-using plans. | May 25 2010 | ||||
| 9ab045ba130f | Axel Kohlmeyer | add check to CG-CMM file installation | May 25 2010 | ||||
| d99aa68cb018 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4196 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| 2f27743355e1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4194 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| a7358b40c348 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4193 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| edbfa5caab03 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4192 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| c3afad7de41d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4191 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| 588b9b1687c2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4190 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| bb5aac253f71 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4189 f3b2605a-c512-4ea7… | May 24 2010 | ||||
| 3c692add7479 | Axel Kohlmeyer | additional in/output set optimized for more speed | May 23 2010 | ||||
| 02e390bbe499 | Axel Kohlmeyer | fix typo that was directing pppm/cg to use pppm. | May 23 2010 | ||||
| c702acb9c019 | Axel Kohlmeyer | optimize compiler settings for maximum performance. | May 23 2010 | ||||
| c22dd41ec879 | Axel Kohlmeyer | fix bug in eval_middle() for lj/cut. forgot offset. | May 22 2010 | ||||
| c2155027c830 | Axel Kohlmeyer | convert MPI stubs library to have c bindings. | May 22 2010 | ||||
| 870722af7997 | Axel Kohlmeyer | ignore generated .pdf manual. | May 22 2010 | ||||
| 976a33be5914 | Axel Kohlmeyer | ignore some more files that are not under SCM. | May 22 2010 | ||||
| b4ced58f4dd5 | Axel Kohlmeyer | adjust normalization loop for fftw3 in timing call. | May 22 2010 | ||||
| d7685f322583 | Axel Kohlmeyer | drop the "new-array" variant of FFTW3 support. | May 22 2010 | ||||
| d21feb046d36 | Axel Kohlmeyer | small refactoring of kissfft. | May 22 2010 | ||||
| d4ebf4049d23 | Axel Kohlmeyer | more repetitive thread setup support to header | May 22 2010 | ||||
| d864caa4f8d3 | Axel Kohlmeyer | Merge branch 'master' into lammps-icms | May 22 2010 | ||||
| 9ec97e97e800 | Axel Kohlmeyer | update html documentation for OpenMP support. | May 22 2010 |
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