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wl_options.h
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wl_options.h
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/* Last changed Time-stamp: <2014-07-22 16:04:13 mtw> */
#ifndef WL_OPTIONS_H
#define WL_OPTIONS_H
#include <stdio.h>
typedef struct _options {
FILE *INFILE; /* input file */
char *basename; /* base name of processed file */
char *structures_file; /* output file for sampled structures */
long int checksteps; /* wl steps before histogram is checked for
* flatness */
char *sequence; /* sequence */
char *structure; /* start structure */
int len; /* sequence length */
int bins; /* # of equidistant bins in histogram */
double ffinal; /* modification parameter f */
float flat; /* flatness criterion */
long int seed; /* seed for random number generator */
int seed_given; /* whether seed was given at the command line */
long int steplimit; /* maximum number of MC steps to perform */
float T; /* fold temperature */
float erange; /* energy range for subopt */
int norm; /* # of normalization-bins */
double max; /* upper energy bound of sampling range */
int max_given; /* whether max was given at the command line */
double res; /* histogram bin width */
int res_given; /* whether res was given at the command line */
int truedosbins; /* # of bins that get overwritten by true DOS */
int truedosbins_given; /* whether truedosbins was given */
int verbose; /* be verbose */
int debug; /* debug mode */
} options;
options wanglandau_opt;
#endif