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40 static char *SRCID_steep_h = "$Id$";
46 #ident "@(#) steep.h 1.6 03 Mar 1996"
47 #endif /* HAVE_IDENT */
48 extern real f_max(FILE *log,
49 int left,int right,int nnodes,
50 int start,int end,rvec grad[]);
51 /* Globally calculate max force */
53 extern real f_norm(FILE *log,
54 int left,int right,int nnodes,
55 int start,int end,rvec grad[]);
56 /* Calculates norm of forcee */
58 extern time_t do_steep(FILE *log,int nfile,t_filenm fnm[],
59 t_parm *parm,t_topology *top,
60 t_groups *grps,t_nsborder *nsb,
61 rvec x[],rvec grad[],rvec buf[],t_mdatoms *mdatoms,
62 tensor ekin,real ener[],
64 bool bVerbose,bool bDummies,
65 bool bParallelDummies,t_commrec *cr,t_graph *graph);
66 /* Do steepest descents EM or something like that! */