Commits · dd12580eb20286b1337fdd05133cb7539e782133 · SParTA / PuReMD

Dec 14, 2020
- Fix template control file per BGF addition. · dd12580e
  Kurt A. O'Hearn authored 4 years ago
  
  dd12580e
- PG-PuReMD: fixes to NVT with Berendsen thermostat. Use updated constants from... · 00a8c164
  Kurt A. O'Hearn authored 4 years ago
  
  PG-PuReMD: fixes to NVT with Berendsen thermostat. Use updated constants from sPuReMD. Add BGF geometry file parser. Other code clean-up.
  00a8c164
Sep 23, 2017
- PG-PuReMD: continue merging EE/ACKS2 code from sPuReMD. Remove unused arrays. Other clean-up. · 688fdb8f
  Kurt A. O'Hearn authored 7 years ago
  
  688fdb8f
Aug 25, 2017
- PG-PuReMD: update control file fields. · f716eafd
  Kurt A. O'Hearn authored 7 years ago
  
  f716eafd
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
Apr 18, 2017
- PG-PuReMD: general code clean-up. · e6ffd9fc
  Kurt A. O'Hearn authored 7 years ago
  
  e6ffd9fc
Nov 21, 2016
- PG-PuReMD: more code clean-up. Update build system. Update template config file. · a7c6e0e5
  Kurt A. O'Hearn authored 8 years ago
  
  a7c6e0e5
- Update config file templates. · f1c9d000
  Kurt A. O'Hearn authored 8 years ago
  
  f1c9d000
Jun 18, 2016
- Directory reorganization. Update simulation runner paths. · 8fe7397e
  Kurt A. O'Hearn authored 8 years ago
  
  8fe7397e
Jun 09, 2016
- Update .gitignore. · 11a72ccd
  Kurt A. O'Hearn authored 8 years ago
  
  11a72ccd
Jan 14, 2016
- Initial commit. · baaff01c
  Kurt A. O'Hearn authored 9 years ago
  
  baaff01c