// netcdf_ptraj.h #ifdef BINTRAJ # ifdef MPI # include "../../include/pnetcdf.h" # define nc_strerror ncmpi_strerror # else # include "netcdf.h" # endif #endif void dan_netcdf_debug(int ncid); int NETCDF_info_debug(netcdfTrajectoryInfo *N, char *filename); int NETCDF_open(coordinateInfo *trajInfo); int NETCDF_close(coordinateInfo *trajInfo); int NETCDF_setup(coordinateInfo *trajInfo, int *actualAtoms); int NETCDF_setupOutput(coordinateInfo *trajInfo, int atoms); #ifdef BINTRAJ int netcdfDefineVariable( int ncid, char *name, nc_type xtype, int ndims, int dimids[], int *varidp ); void netcdfDefineDimension( int ncid, char *name, int length, int *dimidp ); char *netcdfGetAttributeText( int ncid, int vid, char *attribute ); void netcdfPutAttributeText( int ncid, int vid, char *attribute, char *text ); int netcdfGetDimensionInfo(int ncid, char *attribute, int *length); #endif