Commits · 1e1bbca21eb91f8a944d26c9b441dba8612d1188 · SParTA / PuReMD

Sep 19, 2017
- PG-PuReMD: begin implementing ACKS2. · 1e1bbca2
  Kurt A. O'Hearn authored 7 years ago
  
  1e1bbca2
Aug 25, 2017
- PG-PuReMD: update control file fields. · f716eafd
  Kurt A. O'Hearn authored 7 years ago
  
  f716eafd
Jul 16, 2017
- PG-PuReMD: minor project refactoring. Separate CUDA code. Change header includes. · 5299a315
  Kurt A. O'Hearn authored 7 years ago
  
  5299a315
Jul 15, 2017
- PG-PuReMD: changes to sparse matrix allocation. Other general refactoring. · 0c1dfccc
  Kurt A. O'Hearn authored 7 years ago
  
  0c1dfccc
Jun 13, 2017
- PG-PuReMD: continue transition to using CUB. · 43c0aa62
  Kurt A. O'Hearn authored 7 years ago
  
  43c0aa62
Jun 06, 2017
- PG-PuReMD: code consoliation. · b339c39a
  Kurt A. O'Hearn authored 7 years ago
  
  b339c39a
May 26, 2017
- PG-PuReMD: begin enhancements. Enable sim. step retries. Enable far neighbors... · 9bf7ab00
  Kurt A. O'Hearn authored 7 years ago
  
  PG-PuReMD: begin enhancements. Enable sim. step retries. Enable far neighbors list max per atom. Other general code clean-ups.
  9bf7ab00
May 01, 2017
- PG-PuReMD: begin changes for better dynamic memory management across simulation steps. · 12cc5b84
  Kurt A. O'Hearn authored 7 years ago
  
  12cc5b84
Mar 22, 2017

Kurt A. O'Hearn authored 8 years ago

PG-PuReMD: fix include guards, resolve implicit function declarations, fix inline issues with GCC v5 (C99 std). Other general code clean-up.

26d2e66d

Kurt A. O'Hearn authored 8 years ago

PG-PuReMD: fix issue with hydrogen bond cutoff with systems without hydrogen atoms. Remove debugging info for MPI-only version of PG-PuReMD.

83e5e0c1

Nov 22, 2016
- PG-PuReMD: code clean-up. · 9fca672f
  Kurt A. O'Hearn authored 8 years ago
  
  9fca672f
Nov 21, 2016
- PG-PuReMD: code clean-up. · 036214be
  Kurt A. O'Hearn authored 8 years ago
  
  036214be
Jun 20, 2016
- 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
Jun 14, 2016
- Autotools: add support for compiling shared sources between NVCC and CC trajectories. · 3de10e33
  Kurt A. O'Hearn authored 8 years ago
  
  3de10e33
Apr 23, 2016
- Initial refactoring. Complete OpenMP port. Wrap existing MPI and CUDA makefiles. · 52df90fc
  Kurt A. O'Hearn authored 8 years ago
  
  52df90fc
Jan 14, 2016
- Initial commit. · baaff01c
  Kurt A. O'Hearn authored 9 years ago
  
  baaff01c