git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10118 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-06-27 22:48:27 +00:00
parent 38112d0063
commit 4da20dce99
30 changed files with 883 additions and 571 deletions
--- a/lib/colvars/colvarbias_abf.h
+++ b/lib/colvars/colvarbias_abf.h
@ -46,6 +46,10 @@ private:
  bool      b_history_files;
  size_t    history_freq;

+  /// Cap applied biasing force?
+  bool                    cap_force;
+  std::vector<cvm::real>  max_force;
+
  // Internal data and methods

  std::vector<int>  bin, force_bin;
@ -84,7 +88,7 @@ private:
  std::vector<int>  bin;
  std::string	  out_name;

-  int		  output_freq;  
+  int		  output_freq;
  void		  write_grid ();
  std::ofstream	  grid_os;  /// Stream for writing grid to disk