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00038 #ifndef DENSITY_DESC_FILE
00039 #define DENSITY_DESC_FILE 1
00040
00041 #include "basisinfo.h"
00042
00043
00044 int ddf_writeShellListAndDensityMatricesToFile(const BasisInfoStruct & basisInfo,
00045 int noOfDensityMatrices,
00046 ergo_real** densityMatrixList,
00047 const char* fileName);
00048
00049 typedef struct
00050 {
00051 long nvalues;
00052 int* rowind;
00053 int* colind;
00054 ergo_real* values;
00055 } matrix_description_struct;
00056
00061 int ddf_writeShellListAndDensityMatricesToFile_sparse(const BasisInfoStruct & basisInfo,
00062 int noOfDensityMatrices,
00063 matrix_description_struct* densityMatrixList,
00064 const char* fileName);
00065
00066
00072 int ddf_load_density(const char *densityFileName,
00073 int noOfDensityMatrices,
00074 const IntegralInfo& integralInfo,
00075 BasisInfoStruct **basisInfo,
00076 ergo_real **densityMatrixList);
00077
00083 int ddf_load_density_sparse(const char *densityFileName,
00084 const IntegralInfo& integralInfo,
00085 BasisInfoStruct **basisInfo,
00086 int *noOfDensitiesRead,
00087 int** rowindList,
00088 int** colindList,
00089 ergo_real** valuesList,
00090 long* nvaluesList);
00091
00092
00093 #endif