/*
- *
+ *
* This source code is part of
- *
+ *
* G R O M A C S
- *
+ *
* GROningen MAchine for Chemical Simulations
- *
+ *
* VERSION 3.2.0
* Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* modify it under the terms of the GNU General Public License
* as published by the Free Software Foundation; either version 2
* of the License, or (at your option) any later version.
- *
+ *
* If you want to redistribute modifications, please consider that
* scientific software is very special. Version control is crucial -
* bugs must be traceable. We will be happy to consider code for
* inclusion in the official distribution, but derived work must not
* be called official GROMACS. Details are found in the README & COPYING
* files - if they are missing, get the official version at www.gromacs.org.
- *
+ *
* To help us fund GROMACS development, we humbly ask that you cite
* the papers on the package - you can find them in the top README file.
- *
+ *
* For more info, check our website at http://www.gromacs.org
- *
+ *
* And Hey:
* GRoups of Organic Molecules in ACtion for Science
*/
#endif
typedef struct {
- gmx_bool bGStatEveryStep;
+ gmx_bool bGStatEveryStep;
gmx_large_int_t step_ns;
gmx_large_int_t step_nscheck;
gmx_large_int_t nns;
- matrix scale_tot;
- int nabnsb;
- double s1;
- double s2;
- double ab;
- double lt_runav;
- double lt_runav2;
+ matrix scale_tot;
+ int nabnsb;
+ double s1;
+ double s2;
+ double ab;
+ double lt_runav;
+ double lt_runav2;
} gmx_nlheur_t;
-void reset_nlistheuristics(gmx_nlheur_t *nlh,gmx_large_int_t step);
+void reset_nlistheuristics(gmx_nlheur_t *nlh, gmx_large_int_t step);
void init_nlistheuristics(gmx_nlheur_t *nlh,
- gmx_bool bGStatEveryStep,gmx_large_int_t step);
+ gmx_bool bGStatEveryStep, gmx_large_int_t step);
-void update_nliststatistics(gmx_nlheur_t *nlh,gmx_large_int_t step);
+void update_nliststatistics(gmx_nlheur_t *nlh, gmx_large_int_t step);
-void set_nlistheuristics(gmx_nlheur_t *nlh,gmx_bool bReset,gmx_large_int_t step);
+void set_nlistheuristics(gmx_nlheur_t *nlh, gmx_bool bReset, gmx_large_int_t step);
#ifdef __cplusplus
}