Commits · 7069b52a44b799a1ce4a37d82ed5610bdcf403c1 · multiscale / lammps · GitLab

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Oct 23, 2018
- fix bug reported in issue #1173 · b6b62707
  Axel Kohlmeyer authored 6 years ago
  
  b6b62707
- patch 24Oct2018 · 0293dee9
  Axel Kohlmeyer authored 6 years ago
  
  0293dee9
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
- work around for parallel_for() compilation issue with newer compilers · 348febdf
  Axel Kohlmeyer authored 6 years ago
  
  apparently, data items used inside parallel_for() constructs have rather strict requirements on const-ness, which is enforced by newer GNU compilers. As a workaround we construct explicit const copies of those class instances. This closes #1045
  348febdf
- 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
Oct 19, 2018
- fix triclinic rounding bug for lib interface as well · 8cd70f7d
  Steve Plimpton authored 6 years ago
  
  8cd70f7d
- 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
- fix some typos caused by trusting emacs' smart case-preserving replace too much · db32373b
  Axel Kohlmeyer authored 6 years ago
  
  db32373b
- add depreacted kspace style · 9d7c4ac5
  Axel Kohlmeyer authored 6 years ago
  
  9d7c4ac5
- replace non-ASCII character · 0ec94b2a
  Axel Kohlmeyer authored 6 years ago
  
  0ec94b2a
- port kspace refactor to GPU and KOKKOS package · 83c830fd
  Axel Kohlmeyer authored 6 years ago
  
  83c830fd
- refactor kspace style in USER-SCAFACOS and fix uninitialized handle bug · 3a4bef35
  Axel Kohlmeyer authored 6 years ago
  
  3a4bef35
- kspace refactor compiles for KSPACE and USER-OMP · 2f52eee6
  Axel Kohlmeyer authored 6 years ago
  
  2f52eee6
- use min_post_force() method to hook fix halt into minimization · 80e0ddda
  Axel Kohlmeyer authored 6 years ago
  
  80e0ddda
- first attempt to port fix halt to minimizations · cc6f1be8
  Axel Kohlmeyer authored 6 years ago
  
  cc6f1be8
Oct 18, 2018
- propagate the kspace change to a the first few kspace styles · 9090fd02
  Axel Kohlmeyer authored 6 years ago
  
  9090fd02
- split kspace style constructor into plain constructor and settings() method · 7deb1df2
  Axel Kohlmeyer authored 6 years ago
  
  7deb1df2
- added -restart2dump command-line option · d9dd80b3
  Steve Plimpton authored 6 years ago
  
  d9dd80b3
- bug fix for create_atoms single remap and triclinic · dcde84eb
  Steve Plimpton authored 6 years ago
  
  dcde84eb
Oct 17, 2018
- add deprecated dump and region styles · 7bb5821b
  Axel Kohlmeyer authored 6 years ago
  
  7bb5821b
- implement deprecated styles for bond, angle, dihedral, and improper · 2b0e4747
  Axel Kohlmeyer authored 6 years ago
  
  2b0e4747
- add DEPRECATED compute style · 65ebbdad
  Axel Kohlmeyer authored 6 years ago
  
  65ebbdad
- make default style name for deprecated styles uppercase, so it is considered internal · b71f530b
  Axel Kohlmeyer authored 6 years ago
  
  also consolidate the writeout message across styles into a single convenience function
  b71f530b
Oct 16, 2018
- resolve portability issues to windows w.r.t. fixed width integer types · 22736045
  Axel Kohlmeyer authored 6 years ago
  
  22736045
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 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
- 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
- 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
Oct 09, 2018
- update version number · 70bee266
  Axel Kohlmeyer authored 6 years ago
  
  70bee266
Oct 08, 2018
- fix stupid typo · dc6123fa
  Axel Kohlmeyer authored 6 years ago
  
  dc6123fa