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37 #ifndef GMX_FILEIO_ESPIO_H
38 #define GMX_FILEIO_ESPIO_H
42 #include "gromacs/math/vectypes.h"
47 void gmx_espresso_read_conf(const char* infile,
54 /* If name is not nullptr, gmx_strdup the title string into
55 * it. Reading a title from espresso format is not , so this will
56 * always be an empty string. */
58 int get_espresso_coordnum(const char* infile);
60 void write_espresso_conf_indexed(FILE* out,