Commits · 98e0d6eab20b8ede722bab26bbf0a02ca3d36241 · multiscale / lammps

Aug 24, 2018
- Fix unused params in packages (#1076) · 92a4dc25
  Daniel Schwen authored 6 years ago
  
  92a4dc25
Apr 27, 2018
- replace C-style include files with their C++ equivalents · e4071d7f
  Axel Kohlmeyer authored 6 years ago
  
  e4071d7f
Jun 14, 2017
- Added compute_scalar to fix_grem for easier output managment, updated example to show use · 0ad66ecb
  dstelter92 authored 7 years ago
  
  0ad66ecb
Nov 22, 2016
- rename compute pressure/grem to compute PRESSURE/GREM · df46b9aa
  Axel Kohlmeyer authored 8 years ago
  
  df46b9aa
- small changes to temper/grem commands · b95f255a
  Steve Plimpton authored 8 years ago
  
  b95f255a
Nov 16, 2016
- simplify multi-replica run by passing per-replica parameters as variables on the command line · 683f514f
  Axel Kohlmeyer authored 8 years ago
  
  683f514f
- need to apply fix_modify already in fix grem constructor · f6179939
  Axel Kohlmeyer authored 8 years ago
  
  f6179939
- remove superfluous code · 705f66aa
  Axel Kohlmeyer authored 8 years ago
  
  705f66aa
- added check for nvt vs npt, enabled nvt simulation with fix_grem · 950442b8
  dstelter92 authored 8 years ago
  
  950442b8
Nov 14, 2016
- whitespace cleanup · 0c25f3b1
  Axel Kohlmeyer authored 8 years ago
  
  0c25f3b1
- retrieve target temperature and pressure from fix npt. add sanity checks. · 14c7cf41
  Axel Kohlmeyer authored 8 years ago
  
  14c7cf41
Nov 13, 2016

initial import of adapted gREM code by David Stelter and Edyta Malolepsza · 20daf824

Axel Kohlmeyer authored 8 years ago

The following changes were made:
- the modifications to compute pressure were transferred to a derived class compute pressure/grem
- fix scaleforce was renamed to fix grem
- identifying the grem fix was simplified as fix grem passes an additional argument to compute pressure/grem
- dead code was removed in both files
- checking of arguments was tightened

20daf824