/usr/include/gromacs/fileio/xtcio.h is in libgromacs-dev 2018.1-1.
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#ifndef GMX_FILEIO_XTCIO_H
#define GMX_FILEIO_XTCIO_H
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
#endif
struct t_fileio;
/* All functions return 1 if successful, 0 otherwise
* bOK tells if a frame is not corrupted
*/
/* Note that XTC was implemented to use xdr_int for the step number,
* which is defined by the standard to be signed and 32 bit. We didn't
* design the format to be extensible, so we can't fix the fact that
* after 2^31 frames, step numbers will wrap to be
* negative. Fortunately, this tends not to cause serious problems,
* and we've fixed it in TNG. */
struct t_fileio *open_xtc(const char *filename, const char *mode);
/* Open a file for xdr I/O */
void close_xtc(struct t_fileio *fio);
/* Close the file for xdr I/O */
int read_first_xtc(struct t_fileio *fio,
int *natoms, gmx_int64_t *step, real *time,
matrix box, rvec **x, real *prec, gmx_bool *bOK);
/* Open xtc file, read xtc file first time, allocate memory for x */
int read_next_xtc(struct t_fileio *fio,
int natoms, gmx_int64_t *step, real *time,
matrix box, rvec *x, real *prec, gmx_bool *bOK);
/* Read subsequent frames */
int write_xtc(struct t_fileio *fio,
int natoms, gmx_int64_t step, real time,
const rvec *box, const rvec *x, real prec);
/* Write a frame to xtc file */
#ifdef __cplusplus
}
#endif
#endif
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