Commits · 2105145f55e6fee2011444c1e4024c1e0efc6992 · multiscale / lammps · GitLab

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Sep 05, 2017
- More minor changes · 2105145f
  Oliver Henrich authored 7 years ago
  
  2105145f
- Added comment about optimised damping coefficient for BD · f7715ab6
  Oliver Henrich authored 7 years ago
  
  f7715ab6
- Added sequence-dependent stacking and base-pairing strength · 12fe614d
  Oliver Henrich authored 7 years ago
  
  12fe614d
Sep 01, 2017
- Merge branch 'master' of github.com:lammps/lammps · 2b964609
  Steve Plimpton authored 7 years ago
  
  2b964609
- patch 1Sep17 · f58088ae
  Steve Plimpton authored 7 years ago
  
  f58088ae
Aug 26, 2017
- Merge pull request #633 from lammps/doc-user-meso · 21893539
  Steve Plimpton authored 7 years ago
  
  tweak an eq in USER-MESO, also allow neigh to be built w/out styles
  21893539
- Merge pull request #582 from stanmoore1/kk_changes · dd101db7
  Steve Plimpton authored 7 years ago
  
  Fixing execution space issues in KOKKOS package
  dd101db7
- tweak an eq in USER-MESO, also allow neigh to be built w/out styles · 81ba1813
  Steve Plimpton authored 7 years ago
  
  81ba1813
Aug 24, 2017
- Merge pull request #631 from akohlmey/small-fixes-and-updates · 6195b3c0
  Steve Plimpton authored 7 years ago
  
  Small fixes and updates for patch release
  6195b3c0
- moltemplate bugfix update · de0fdbed
  Axel Kohlmeyer authored 7 years ago
  
  de0fdbed
- print write dump systen init warning only on MPI rank 0 · dea92fbf
  Axel Kohlmeyer authored 7 years ago
  
  dea92fbf
Aug 23, 2017
- correct typo in header formatting · 6db3bd87
  Axel Kohlmeyer authored 7 years ago
  
  6db3bd87
- Merge pull request #629 from stanmoore1/kokkos_update · b6c93f96
  Steve Plimpton authored 7 years ago
  
  Update Kokkos library to v2.04.00
  b6c93f96
- Merge pull request #624 from akohlmey/compute-fragment · 7b7a5076
  Steve Plimpton authored 7 years ago
  
  Add computes fragment/atom and aggregate/atom
  7b7a5076
- Merge pull request #630 from akohlmey/moltemplate-update · 1536eb5d
  Steve Plimpton authored 7 years ago
  
  Update for moltemplate to version 2017-8-22
  1536eb5d
- Merge pull request #622 from akohlmey/collected-small-fixes · f7a0a6eb
  Steve Plimpton authored 7 years ago
  
  Collected small fixes
  f7a0a6eb
- Merge pull request #621 from lammps/user-meso · d80a6cbd
  Steve Plimpton authored 7 years ago
  
  new USER-MESO package
  d80a6cbd
- Merge pull request #619 from jrgissing/molecule_maxspecial · c4b37039
  Steve Plimpton authored 7 years ago
  
  molecule maxspecial value corrected when specials autogenerated
  c4b37039
- add compatibility to NetCDF 4.3.3 as bundled with RHEL 7.x · b52efa28
  Axel Kohlmeyer authored 7 years ago
  
  b52efa28
- correct embedded help for GPU lib Install.py · e88ff8d6
  Axel Kohlmeyer authored 7 years ago
  
  e88ff8d6
- update fix qeq docs for the new, more flexible parameter file format · 97edf90a
  Axel Kohlmeyer authored 7 years ago
  
  97edf90a
- add moltemplate version 2017-8-22 · 12150ffa
  Axel Kohlmeyer authored 7 years ago
  
  12150ffa
- remove old moltemplate version · 57aafba7
  Axel Kohlmeyer authored 7 years ago
  
  57aafba7
- make links unique, fix doc format warnings and add entries to administrative files · cdfb1aa0
  Axel Kohlmeyer authored 7 years ago
  
  cdfb1aa0
- restore changes to read_data docs, that would have been lost due to merging an outdated version · b80752a4
  Axel Kohlmeyer authored 7 years ago
  
  b80752a4
- fix issues indicated by compiler warnings · 79d5ca66
  Axel Kohlmeyer authored 7 years ago
  
  79d5ca66
- add USER-MESO files to .gitignore · 26c15140
  Axel Kohlmeyer authored 7 years ago
  
  26c15140
Aug 22, 2017
- Update Kokkos library to v2.04.00 · 090c792d
  Stan Moore authored 7 years ago
  
  090c792d
Aug 21, 2017
- fix typo · 24c00b1f
  Axel Kohlmeyer authored 7 years ago
  
  24c00b1f
- add a compute aggregate/atom, that combines the rules for compute cluster/atom and fragment/atom · 5a0c3aea
  Axel Kohlmeyer authored 7 years ago
  
  5a0c3aea
- add initializers for nmatch/nwant variables in molecule file parser · d1a0c040
  Axel Kohlmeyer authored 7 years ago
  
  d1a0c040
Aug 20, 2017
- remove non-portable non-ascii blanks from fix wall/ees docs · f5b8f722
  Axel Kohlmeyer authored 7 years ago
  
  f5b8f722
- add missing entry in pdf manual · 39e51df2
  Axel Kohlmeyer authored 7 years ago
  
  39e51df2
- skip over disabled bonds · c895df73
  Axel Kohlmeyer authored 7 years ago
  
  c895df73
- add docs for compute fragment/atom · 4dc1195c
  Axel Kohlmeyer authored 7 years ago
  
  4dc1195c
- trim unneeded includes · 35fd82b6
  Axel Kohlmeyer authored 7 years ago
  
  35fd82b6
- use list of bonds per atom instead of bondlist, as that will work with shake as well · c5ce3ffe
  Axel Kohlmeyer authored 7 years ago
  
  c5ce3ffe
Aug 19, 2017
- more cleanup, checks and generalization of QEQ parameter file parsing · aa1ce09b
  Axel Kohlmeyer authored 7 years ago
  
  aa1ce09b
- new USER-MESO package · f945d456
  Steve Plimpton authored 7 years ago
  
  f945d456
- add checks when reading QEQ parameter file to avoid segfaults and memory... · 44ccdb86
  Axel Kohlmeyer authored 7 years ago
  
  add checks when reading QEQ parameter file to avoid segfaults and memory corruption on incorrect files
  44ccdb86