MDFF.h Source File

00001 /***************************************************************************
00002  *cr
00003  *cr            (C) Copyright 1995-2019 The Board of Trustees of the
00004  *cr                        University of Illinois
00005  *cr                         All Rights Reserved
00006  *cr
00007  ***************************************************************************/
00008 
00009 /***************************************************************************
00010  * RCS INFORMATION:
00011  *
00012  *      $RCSfile: MDFF.h,v $
00013  *      $Author: johns $        $Locker:  $             $State: Exp $
00014  *      $Revision: 1.2 $      $Date: 2019/01/17 21:38:55 $
00015  *
00016  ***************************************************************************
00017  * DESCRIPTION:
00018  *   Multi-core CPU versions of MDFF functions
00019  *
00020  * "GPU-Accelerated Analysis and Visualization of Large Structures
00021  *  Solved by Molecular Dynamics Flexible Fitting"
00022  *  John E. Stone, Ryan McGreevy, Barry Isralewitz, and Klaus Schulten.
00023  *  Faraday Discussion 169, 2014. (In press)
00024  *  Online full text available at http://dx.doi.org/10.1039/C4FD00005F
00025  *
00026  ***************************************************************************/
00027 
00028 int cc_threaded(VolumetricData *qsVol, 
00029                 const VolumetricData *targetVol, 
00030                 double *cc, double threshold);
00031