Commits · 76a2a9ab0a6ee5e9280b991ce858fb525ec42e30 · multiscale / lammps · GitLab

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Oct 21, 2018
- Fixed normalization error for ordinate degree · 76a2a9ab
  Aidan Thompson authored 6 years ago
  
  76a2a9ab
Oct 20, 2018
- Eliminated another initialization error and tweaked rdf-adf example · 8223f5e0
  Aidan Thompson authored 6 years ago
  
  8223f5e0
- fix uninitialized data bug in compute adf · 8aecefe2
  Axel Kohlmeyer authored 6 years ago
  
  8aecefe2
- add an example for RDF and ADF computation with water molecules · 2140caa6
  Axel Kohlmeyer authored 6 years ago
  
  2140caa6
- correct link to output options · fb6f019a
  Axel Kohlmeyer authored 6 years ago
  
  fb6f019a
- integrate compute adf into manual build infrastructure · 79da210d
  Axel Kohlmeyer authored 6 years ago
  
  79da210d
- Added compute_rdf.txt · 0783f8ad
  Aidan Thompson authored 6 years ago
  
  0783f8ad
- Added compute_rdf.cpp · 3a735d15
  Aidan Thompson authored 6 years ago
  
  3a735d15
- Creatd new compute ADF for angular distribution function · 04a4a29f
  Aidan Thompson authored 6 years ago
  
  04a4a29f
- Merge pull request #1167 from lammps/create-triclinic-lib · 52f02f2b
  Axel Kohlmeyer authored 6 years ago
  
  fix triclinic rounding bug for lib interface as well
  Unverified
  
  52f02f2b
Oct 19, 2018
- Merge pull request #1166 from rbberger/cmake_prevent_src_builds · f82a8493
  Axel Kohlmeyer authored 6 years ago
  
  Add src directory to PreventInSourceBuilds checks
  Unverified
  
  f82a8493
- fix triclinic rounding bug for lib interface as well · 8cd70f7d
  Steve Plimpton authored 6 years ago
  
  8cd70f7d
- Add src directory to PreventInSourceBuilds checks · 27a46cec
  Richard Berger authored 6 years ago
  
  27a46cec
- Merge pull request #1162 from lammps/restart2dump · 15de0968
  Axel Kohlmeyer authored 6 years ago
  
  added -restart2dump command-line option
  Unverified
  
  15de0968
- Merge pull request #1136 from junghans/cmake_out_source · f5425900
  Axel Kohlmeyer authored 6 years ago
  
  cmake: prevent in-source build
  Unverified
  
  f5425900
- update embedded command line help summary string for new feature · 01c3ab59
  Axel Kohlmeyer authored 6 years ago
  
  01c3ab59
- harden code against buffer overflows · 709013be
  Axel Kohlmeyer authored 6 years ago
  
  709013be
Oct 18, 2018
- added -restart2dump command-line option · d9dd80b3
  Steve Plimpton authored 6 years ago
  
  d9dd80b3
- Merge pull request #1161 from lammps/create-atoms-single · 4015b36a
  Axel Kohlmeyer authored 6 years ago
  
  bug fix for create_atoms single remap and triclinic
  Unverified
  
  4015b36a
- bug fix for create_atoms single remap and triclinic · dcde84eb
  Steve Plimpton authored 6 years ago
  
  dcde84eb
Oct 16, 2018
- Merge pull request #1160 from akohlmey/user-ptm-portability · 0ec9b9a7
  Axel Kohlmeyer authored 6 years ago
  
  Make USER-PTM compile with MinGW64 for Windows
  Unverified
  
  0ec9b9a7
- resolve portability issues to windows w.r.t. fixed width integer types · 22736045
  Axel Kohlmeyer authored 6 years ago
  
  22736045
- Merge pull request #1159 from wmbrownIntel/user-intel-sf-hybrid · 6e99b3d8
  Axel Kohlmeyer authored 6 years ago
  
  Fix to allow suffix and pair hybrid to work together with USER-INTEL.
  Unverified
  
  6e99b3d8
Oct 15, 2018
- Fix to allow suffix and pair hybrid to work together with USER-INTEL. · bea0a309
  Michael Brown authored 6 years ago
  
  bea0a309
Oct 12, 2018
- Merge pull request #1155 from athomps/sna-atom-leakfix2 · 7968d2ed
  Axel Kohlmeyer authored 6 years ago
  
  Fixed a segfault introduced by memory-leak fix (#1125)
  Unverified
  
  7968d2ed
- Merge pull request #1156 from wmbrownIntel/user-intel-hybrid · 382e91cf
  Axel Kohlmeyer authored 6 years ago
  
  Adding hybrid support to USER-INTEL package + EAM/intel bug fix
  Unverified
  
  382e91cf
- Merge pull request #1157 from wmbrownIntel/user-intel-makefiles · ce63a227
  Axel Kohlmeyer authored 6 years ago
  
  Changes to intel Makefiles to make use of MKL consistent.
  Unverified
  
  ce63a227
- Merge pull request #988 from valleymouth/granular-kokkos · 00c75ecb
  Stan Moore authored 6 years ago
  
  Kokkos port for GRANULAR
  Unverified
  
  00c75ecb
Oct 11, 2018
- Revert size_velocity change in atom_vec_dpd_kokkos · 8224c89f
  Stan Moore authored 6 years ago
  
  8224c89f
- Fix hang with Kokkos and USER-DPD examples · a223338b
  Stan Moore authored 6 years ago
  
  a223338b
- Add missing Kokkos pack/unpack comm vel functions · 8eb74d8f
  Stan Moore authored 6 years ago
  
  8eb74d8f
- Merge branch 'master' of github.com:lammps/lammps into granular-kokkos · e5c6b698
  Stan Moore authored 6 years ago
  
  e5c6b698
- Changes to intel Makefiles to make use of MKL consistent. · 8cbee787
  Michael Brown authored 6 years ago
  
  8cbee787
- Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization. · c37deebf
  Michael Brown authored 6 years ago
  
  c37deebf
- Fixed a segfault introduced by memory-leak fix · c142288e
  Aidan Thompson authored 6 years ago
  
  c142288e
Oct 10, 2018
- Merge pull request #1154 from stanmoore1/small_fixes · 7faa48b4
  Axel Kohlmeyer authored 6 years ago
  
  Small fixes
  Unverified
  
  7faa48b4
- Fix compile error with copysign function · a1266a1a
  Stan Moore authored 6 years ago
  
  a1266a1a
- Makefile fix from the mailing list · 7cce002c
  Stan Moore authored 6 years ago
  
  7cce002c
- Add missing files to .gitignore · 2def00d4
  Stan Moore authored 6 years ago
  
  2def00d4
- Merge branch 'master' of github.com:lammps/lammps into granular-kokkos · 3d0722b9
  Stan Moore authored 6 years ago
  
  3d0722b9