29 #include <sys/types.h> 48 #define DCD_OPENFAILED -3 49 #define DCD_BADREAD -4 51 #define DCD_BADFORMAT -6 52 #define DCD_FILEEXISTS -7 53 #define DCD_BADMALLOC -8 57 int read_dcdheader(
int,
int*,
int*,
int*,
int*,
double*,
int*,
int**);
59 int read_dcdstep(
int,
int,
float*,
float*,
float*,
int,
int,
int*);
63 int write_dcdstep(
int,
int,
float *,
float *,
float *,
double *unitcell);
65 int write_dcdheader(
int,
const char*,
int,
int,
int,
int,
int,
double,
int);
void close_dcd_write(int)
int write_dcdstep_par_XYZUnits(int fd, int N)
int write_dcdstep_par_slave(int fd, int parL, int parU, int N, float *X, float *Y, float *Z)
int open_dcd_write(const char *)
int read_dcdstep(int, int, float *, float *, float *, int, int, int *)
int update_dcdstep_par_header(int fd)
int open_dcd_write_par_slave(char *dcdname)
int open_dcd_read(char *)
int write_dcdstep(int, int, float *, float *, float *, double *unitcell)
OFF_T NAMD_seek(int file, OFF_T offset, int whence)
int write_dcdheader(int, const char *, int, int, int, int, int, double, int)
void close_dcd_read(int, int, int *)
int read_dcdheader(int, int *, int *, int *, int *, double *, int *, int **)
int write_dcdstep_par_cell(int fd, double *cell)