Graphefficient_neuronet
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efficient_neuronet
History Graph
History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| e3eb61765260 | Axel Kohlmeyer | update several old input files to current syntax | Aug 1 2016 | ||||
| 11f772969f88 | Axel Kohlmeyer | correct typo | Jul 31 2016 | ||||
| 1d17eed48ca5 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 31 2016 | ||||
| 6ff87be84925 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15413 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 26622f2826fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15412 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 7ec3c90b86b0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15411 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| fd05571ee03e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15410 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 5b5f839265b4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15409 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| d3e47eef1cc1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15407 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| f9c6ec768b49 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15406 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| fb13763ef91d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15404 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 22fe3fd17875 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15403 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 58be921a0932 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15402 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| b5836fa49170 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15401 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 4eb6664ba8a2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15400 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| ee86bd2463f0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15399 f3b2605a-c512-4ea7… | Jul 30 2016 | ||||
| 94b4702bb1b3 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 30 2016 | ||||
| edd6cb1f3e25 | Axel Kohlmeyer | correctly initialize natoms_original variable in ewald/disp and call qsum_qsq()… | Jul 29 2016 | ||||
| 326fde5f9fc7 | Axel Kohlmeyer | remove const qualifier that clashes with many MPI versions | Jul 29 2016 | ||||
| f609827de85b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15397 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| 2ac26ab8ac39 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15396 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| 3297fbeb26e9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15395 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| 642c01a15088 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15394 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| b936d69f127a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| f486709150d5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15392 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| b8bf3ae5b0d7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15391 f3b2605a-c512-4ea7… | Jul 29 2016 | ||||
| ba0147f747c2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 29 2016 | ||||
| f13ff2e1351f | Axel Kohlmeyer | update min_style docs about the limitations in hftn minimizer | Jul 28 2016 | ||||
| e00d1baf1e31 | Axel Kohlmeyer | min style hftn doesn't seem to handle extra DOFs correctly | Jul 28 2016 | ||||
| 55a138cdca6a | Axel Kohlmeyer | add tests for anisotropic and triclinic box relaxation | Jul 28 2016 | ||||
| a051e0807f61 | Axel Kohlmeyer | initialize box related global data to zero | Jul 28 2016 | ||||
| 111e47a137d3 | Axel Kohlmeyer | convert static const variables to in-class enum | Jul 28 2016 | ||||
| cf2aa231f562 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15390 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| 87b66263580f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15389 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| 70bfc1c0979a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15388 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| c95ec24d1a7b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| f2f9fe0a6521 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15386 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| 3080bb534113 | Axel Kohlmeyer | provide better informative messages when OMP_NUM_THREADS is not set or code was… | Jul 28 2016 | ||||
| 6a953aec85fd | Axel Kohlmeyer | must clear sigma and gamma arrays to avoid valgrind errors when using dpd/tstat… | Jul 28 2016 | ||||
| 33b26525a8b4 | Axel Kohlmeyer | we need to do a full force initialization before write_coeff can work due to… | Jul 28 2016 | ||||
| 9ec0b15640c4 | Axel Kohlmeyer | processor grid is not initialized until the box is defined. | Jul 28 2016 | ||||
| 056ffc90bd08 | Axel Kohlmeyer | silence compiler warning | Jul 28 2016 | ||||
| 34d5c29bf50b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 28 2016 | ||||
| e561aa052909 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15382 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| a01058e7d27f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15381 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| 308461125e72 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15379 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| a91dae3f2b81 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15378 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| e8c5280ad9d6 | athomps | Added axes keyword | Jul 28 2016 | ||||
| 5241c0326e4b | athomps | Added axes keyword | Jul 28 2016 | ||||
| ae255c847bf7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7… | Jul 28 2016 | ||||
| 2479d8031cc8 | athomps | Fixed memory leak from rlist | Jul 27 2016 | ||||
| ac74863ab07f | Axel Kohlmeyer | denom_lj is used in some derived classes, so we need to initialize both… | Jul 27 2016 | ||||
| b72f2cbc323f | Axel Kohlmeyer | MPI send buffers should accept pointers to const data | Jul 27 2016 | ||||
| feff85c3551c | Axel Kohlmeyer | fix uninitialized data bug in fix shake | Jul 27 2016 | ||||
| 54e4e7a92772 | Axel Kohlmeyer | correct use of MPI data types (always those fortran programmers...) | Jul 27 2016 | ||||
| 6b79bbfaf39d | stamoor | Fixing Kokkos memory issue | Jul 27 2016 | ||||
| b09c2a0bf4d2 | Iain Bethune | Check the correct argument for dipole/dlm | Jul 27 2016 | ||||
| ef6ff80366a7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15372 f3b2605a-c512-4ea7… | Jul 27 2016 | ||||
| ee24be38cbc3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15371 f3b2605a-c512-4ea7… | Jul 27 2016 | ||||
| c1fc5aef12fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15370 f3b2605a-c512-4ea7… | Jul 27 2016 | ||||
| ddd85f006cc8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7… | Jul 27 2016 | ||||
| f0d1800734ed | Axel Kohlmeyer | Merge branch 'merge-pull-124' into lammps-icms | Jul 27 2016 | ||||
| 80ef98f8ffa0 | Axel Kohlmeyer | Merge branch 'merge-pull-122' into lammps-icms | Jul 27 2016 | ||||
| 671ca115f9d0 | Axel Kohlmeyer | rename dlm option to dipole/dlm and turn on dipole flag with it as well | Jul 27 2016 | ||||
| 01e12e23c289 | Axel Kohlmeyer | Merge branch 'dlm' of https://github.com/ibethune/lammps into merge-pull-122 | Jul 27 2016 | ||||
| ef05a24f8773 | Axel Kohlmeyer | port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp | Jul 27 2016 | ||||
| 6fd5b9b3ddf8 | Axel Kohlmeyer | Merge branch 'optimised_pair_lj' of https://github.com/ibethune/lammps into… | Jul 27 2016 | ||||
| 46f034d1a8a4 | Iain Bethune | Added back in denom_lj variable, which is used by some subclasses in other… | Jul 27 2016 | ||||
| 9b9c3416c6a8 | Iain Bethune | Doc updates for fix_nh (alongside existing update dipole keyword) | Jul 27 2016 | ||||
| 6e050e243d39 | Iain Bethune | Add reference | Jul 27 2016 | ||||
| b99f255eed4f | Iain Bethune | Update doc for nve/sphere | Jul 27 2016 | ||||
| 9670f5dedf68 | Iain Bethune | Remove the long_14* files, not relevant for this feature branch | Jul 27 2016 | ||||
| c3473f7ca805 | Axel Kohlmeyer | some small tweaks and fixes to fix_n*_sphere*.cpp files | Jul 26 2016 | ||||
| 4a736370efde | Axel Kohlmeyer | Merge branch 'dlm' of https://github.com/ibethune/lammps into merge-pull-122 | Jul 26 2016 | ||||
| b928f98006d1 | Iain Bethune | Added optimised pair_lj_* code from master | Jul 26 2016 | ||||
| 73db42104816 | Iain Bethune | DLM code from master | Jul 26 2016 | ||||
| 0ad5a1775d68 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 26 2016 | ||||
| 8c04540e8a48 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15368 f3b2605a-c512-4ea7… | Jul 25 2016 | ||||
| a6eb7d022792 | Axel Kohlmeyer | no need to use a cast on atom->ntypes | Jul 25 2016 | ||||
| 0f9c14485a93 | Axel Kohlmeyer | formatting and comment cleanup in fix_qmmm to be more consistent with LAMMPS | Jul 25 2016 | ||||
| 7ce10e8a9ebe | Axel Kohlmeyer | USER-QMMM enhancement from carlo cavazzoni that moves computation from MM to QM… | Jul 25 2016 | ||||
| 44694867075e | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 24 2016 | ||||
| 960be2dd72d6 | Axel Kohlmeyer | remove useless and dead code. | Jul 23 2016 | ||||
| 751786364deb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15367 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| c28a1eb4e028 | Axel Kohlmeyer | stupid debian bourne shell... | Jul 23 2016 | ||||
| ab439608bbe6 | Axel Kohlmeyer | correct unwanted error exit on false branch in test case | Jul 23 2016 | ||||
| c76672ab86e3 | Axel Kohlmeyer | remove erroneously added backup files | Jul 23 2016 | ||||
| 01881e6fcc2d | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Jul 23 2016 | ||||
| 06761ff09bee | Axel Kohlmeyer | re-enable forcing using ccache with a workaround for clang | Jul 23 2016 | ||||
| 08ac3d54dd94 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15364 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| caf9483a0a7c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15362 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| c04c7756318e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15361 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 7dc6873c513c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15360 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 952a0d1fb776 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15359 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 778f4d338c78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15358 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 2f936d5e564b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15357 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 87a6c1368f6f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15356 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| cff65b956adc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| 87bfe1941b6f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15354 f3b2605a-c512-4ea7… | Jul 23 2016 | ||||
| e519cfb1dccb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15353 f3b2605a-c512-4ea7… | Jul 23 2016 |
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