Commits · a759534a22f145f30b008978cdda4ff74cd315b8 · SParTA / PuReMD

Mar 12, 2018

All: fix issue with pi bonds being incorrectly computed in bond orders. Patch... · 144c34fc

Kurt A. O'Hearn authored 7 years ago

All: fix issue with pi bonds being incorrectly computed in bond orders. Patch originally submitted to LAMMPS mailing list by Tomas Trnka, SCM (refer to Issue #837 on Github).

144c34fc

Dec 08, 2016
- PuReMD-GPU: fix build system to include OpenMP flag. · 6777101d
  Kurt A. O'Hearn authored 8 years ago
  
  6777101d
- Begin sPuReMD+PuReMD-GPU merge. · 9faf5132
  Kurt A. O'Hearn authored 8 years ago
  
  9faf5132
Dec 06, 2016
- PuReMD-GPU: fix global CUDA libary variable linkage. · 453a4c17
  Kurt A. O'Hearn authored 8 years ago
  
  453a4c17
Dec 05, 2016
- PuReMD-GPU: fix issues with C++ to C calling conventions. Remove function... · d369d2c7
  Kurt A. O'Hearn authored 8 years ago
  
  PuReMD-GPU: fix issues with C++ to C calling conventions. Remove function overloading for C compilation.
  d369d2c7
Dec 03, 2016
- PuReMD-GPU: more edits. · 6637640d
  KAO authored 8 years ago
  
  6637640d
Nov 25, 2016
- PuReMD-GPU: continue refactoring. · f5ab0f04
  KAO authored 8 years ago
  
  f5ab0f04
- PuReMD-GPU: begin build system refactor. · a085b020
  KAO authored 8 years ago
  
  a085b020
Nov 24, 2016
- PuReMD-GPU: code clean-up, and begin updating build system. · 792df8c2
  KAO authored 8 years ago
  
  792df8c2
Nov 22, 2016
- PuReMD-GPU: code clean-up. · ce6b6624
  Kurt A. O'Hearn authored 8 years ago
  
  ce6b6624
Sep 07, 2016
- Autotools: update OpenMP flags for Intel compilers. · 2fd23c16
  Kurt A. O'Hearn authored 8 years ago
  
  2fd23c16
- sPuReMD: fix incorrect thread parallelism inside bonded force routines. Update... · 44c9e813
  Kurt A. O'Hearn authored 8 years ago
  
  sPuReMD: fix incorrect thread parallelism inside bonded force routines. Update default value of CFLAGS in autotools.
  44c9e813
Sep 06, 2016
- Update autotools config to distribute headers. Fix doc build target to be opt-in. · 79886d65
  Kurt A. O'Hearn authored 8 years ago
  
  79886d65
Jul 25, 2016
- Update autotools defaults. · 8c8b0017
  Kurt A. O'Hearn authored 8 years ago
  
  8c8b0017
Jun 20, 2016
- More code formatting. · bb006b44
  Kurt A. O'Hearn authored 8 years ago
  
  bb006b44
- Code formatting. · 527b0b85
  Kurt A. O'Hearn authored 8 years ago
  
  527b0b85
Jun 18, 2016
- Directory reorganization. Update simulation runner paths. · 8fe7397e
  Kurt A. O'Hearn authored 8 years ago
  
  8fe7397e