lammps/srclammps-icms
lammps/src
lammps-icms
History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 617e88162625 | Axel Kohlmeyer | Merge branch 'merge-pull-166' into lammps-icms | Aug 30 2016 | |||
| fd3da81ee60c | Axel Kohlmeyer | must not initialize base class members | Aug 30 2016 | |||
| 4dcd24d86741 | Axel Kohlmeyer | Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge… | Aug 30 2016 | |||
| c89cdb1adc4a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 30 2016 | |||
| 958e3e6a80e7 | sjplimp | sync with Git | Aug 30 2016 | |||
| 2993aec312a7 | sjplimp | sync with Git | Aug 30 2016 | |||
| f30232b41ed2 | Efrem Braun | Use MPI_Allreduce values instead of each processor's values | Aug 29 2016 | |||
| dec122780c76 | Axel Kohlmeyer | use correct order when initializing arrays | Aug 29 2016 | |||
| bb234349ec86 | Axel Kohlmeyer | Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… | Aug 29 2016 | |||
| 24392261e37f | Axel Kohlmeyer | fix off-by one bug when looking for bonds. | Aug 28 2016 | |||
| dd3b0bfffd0e | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 28 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 | |||
| 236241b10085 | sjplimp | sync with Git | Aug 28 2016 | |||
| 0ec104088fe6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15513 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
| 4f49acf90303 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15511 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
| 18d05e04a206 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15509 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
| 90e6032f973d | sjplimp | new fix flow/gauss command | Aug 28 2016 | |||
| e017b3389839 | Axel Kohlmeyer | small cleanup and generalization of fix flow/gauss | Aug 27 2016 | |||
| 442fedb2a5fe | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 27 2016 | |||
| 84d0bed33b56 | Axel Kohlmeyer | enforce C or POSIX locale in all shell scripts and turn of enforced global grep… | Aug 27 2016 | |||
| b6a677ad7c08 | Axel Kohlmeyer | fix bugs in the automated python 3 compatibility conversion | Aug 27 2016 | |||
| 646d5bb1b9aa | athomps | Added check for undefined hbonds | Aug 26 2016 | |||
| 5348c1c70fe7 | stamoor | Adding Kokkos warning | Aug 26 2016 | |||
| 0092be084785 | Axel Kohlmeyer | update .gitignore for most recent changes | Aug 26 2016 | |||
| 56628fe2b643 | stamoor | Adding Kokkos warning | Aug 26 2016 | |||
| 8a7fecbd9122 | stamoor | Cleaning up code | Aug 26 2016 | |||
| 33661364938f | stamoor | Fixing Kokkos memory issue | Aug 26 2016 | |||
| 1ccda0261e9b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 26 2016 | |||
| 1825f12c2931 | Axel Kohlmeyer | address issues detected by coverity scan | Aug 26 2016 | |||
| bfb01b84e6a6 | stamoor | Fixing compiler warning | Aug 25 2016 | |||
| 90d22706cccd | Anders Hafreager | Fixed initialization of arrays in computes/fixes in MC package | Aug 25 2016 | |||
| 97901d0f7a94 | Anders Hafreager | Fixed initialization of arrays in computes/fixes in MANYBODY package | Aug 25 2016 | |||
| a29f660f0bab | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 38ae93fe9386 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| d11b1ed6c343 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 2bd020290ee4 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 5784ea3b5169 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| bcb85aed6c27 | Axel Kohlmeyer | remove vector/array declarating in compute styles that shadow compute.h members | Aug 25 2016 | |||
| fbccad3ebc08 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| ddc7bf48849e | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 6a21d62c3ff9 | Axel Kohlmeyer | Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge… | Aug 25 2016 | |||
| f7e741f34439 | Anders Hafreager | find functions in atom.cpp checks for id/name being NULL | Aug 25 2016 | |||
| b76dc86f05d1 | Axel Kohlmeyer | Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge… | Aug 25 2016 | |||
| fe0203b1d74b | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 12e1857e3046 | Anders Hafreager | Fixed so we test for compute,fix and variable id's being NULL in find_ functions | Aug 25 2016 | |||
| bb7e42378fdf | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 7b255edfeae5 | Anders Hafreager | Fixed initialization of arrays in fixes | Aug 25 2016 | |||
| 99b93fa62c46 | Axel Kohlmeyer | remove dependency on python-future module and avoid clashes with str() | Aug 25 2016 | |||
| 224c43709519 | Axel Kohlmeyer | fix bug in reserving sufficient space for special atoms | Aug 25 2016 | |||
| d71565b77bb3 | Axel Kohlmeyer | silence warnings about order of pointers in the initializer | Aug 25 2016 | |||
| 4b0bef97187c | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Aug 25 2016 | |||
| e8d034250370 | Axel Kohlmeyer | fix memory leak in compute omega/chunk | Aug 25 2016 | |||
| 998fa338f1cb | Axel Kohlmeyer | Merge branch 'merge-pull-140' into lammps-icms | Aug 25 2016 | |||
| be732e60989f | Axel Kohlmeyer | simplify fix bond/create code a little more | Aug 24 2016 | |||
| c3ddb9eae91c | aaramoon | merged, small bugs fixed | Aug 24 2016 | |||
| 5d993cfe7438 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 4e27bb8fdbb4 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| ceb4ba09196e | aaramoon | Merge branch 'merge-pull-140' of https://github.com/akohlmey/lammps into… | Aug 24 2016 | |||
| 5392cfa2d92f | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 6bdbb21eb7b7 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 8c674019a5b8 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 0ef26d0ca003 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 3830b3c810c1 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| a57436037257 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | |||
| 958293f640a4 | aaramoon | memory leak fixed | Aug 24 2016 | |||
| 57fb84393a7a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 24 2016 | |||
| 93b8d00a5946 | Axel Kohlmeyer | significant refactoring of argument parsing and checking in fix bond/create | Aug 24 2016 | |||
| 647ffab74fc7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7… | Aug 24 2016 | |||
| 1e1f68c30d4b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15491 f3b2605a-c512-4ea7… | Aug 24 2016 | |||
| 8465b417f6b9 | Axel Kohlmeyer | remove xxxdynflag. we will check on pointers being valid instead. | Aug 24 2016 | |||
| f4a89d56fcf9 | Axel Kohlmeyer | refactoring of TypeDetector class | Aug 24 2016 | |||
| bc0864e2d3be | Axel Kohlmeyer | add new test stringstyle() for identify variable styles that return stored… | Aug 24 2016 | |||
| 7bf1d9b40fe1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7… | Aug 24 2016 | |||
| bddb31ea43d0 | Axel Kohlmeyer | various small cleanup steps to dynamic type selection for… | Aug 23 2016 | |||
| 62eeed768bde | Axel Kohlmeyer | Merge branch 'fix_bond_create_update' of https://github.com/aminaramoon/lammps… | Aug 23 2016 | |||
| 49597fa96025 | aaramoon | memory leak resolved | Aug 23 2016 | |||
| bd258d676807 | Axel Kohlmeyer | silence compiler warning | Aug 23 2016 | |||
| 9f1759481b3c | Axel Kohlmeyer | correct include files format and add missing string.h | Aug 23 2016 | |||
| d08e79702603 | Axel Kohlmeyer | Merge branch 'add-fix-gaussFlow' of https://github.com/sstrong99/lammps into… | Aug 23 2016 | |||
| 6c927a419da4 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | |||
| 690158939564 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | |||
| d007faca515f | stamoor | Fixing Kokkos output for number of OpenMP threads | Aug 23 2016 | |||
| 89fc866ba7a4 | stamoor | Fixing bug on Macs | Aug 23 2016 | |||
| 06996d7782d9 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | |||
| 2e7404c96c42 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | |||
| 3309e9d3baf9 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | |||
| a2e882daa290 | aaramoon | enum added in type detector | Aug 23 2016 | |||
| d1ba974fa8ee | aaramoon | correction made | Aug 23 2016 | |||
| 29ae1bbca86a | Axel Kohlmeyer | minor cleanup and compiler warning silencing | Aug 23 2016 | |||
| bbf1dcd9db24 | Axel Kohlmeyer | Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… | Aug 23 2016 | |||
| 95755ba8b2e9 | Steven Strong | Added fix_gaussflow | Aug 22 2016 | |||
| f83f88d736d7 | Axel Kohlmeyer | restore accidentally deleted error message. | Aug 22 2016 | |||
| 68c4a8c2f1cf | Anders Hafreager | Removed if tests in destructor. Also NULLing pointers in destructors | Aug 22 2016 | |||
| ae2bfec83d97 | Anders Hafreager | Initialize pointers to zero before anything else in fix_ave_chunk.cpp | Aug 22 2016 | |||
| 97ffbb68fd89 | Anders Hafreager | Added curly brackets and spaces for better code readability | Aug 22 2016 | |||
| 001c559a261b | Anders Hafreager | Fixed so tabulated pair_vashishta uses same pair_modify command style as other… | Aug 22 2016 | |||
| 45a2dd36d0f0 | Axel Kohlmeyer | correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc… | Aug 21 2016 | |||
| a50793687861 | Axel Kohlmeyer | fix bug in recent dump changes for -DLAMMPS_BIGBIG | Aug 21 2016 |
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