| ATOMS_FILE | QCReader | [static] |
| BUFFER1_RADIUS | QCReader | [static] |
| BUFFER2_RADIUS | QCReader | [static] |
| BUFFER_DIAMETER | QCReader | [static] |
| closeFile(void) | QCReader | |
| COMMENT | QCReader | [static] |
| COMMENT_BIS | QCReader | [static] |
| COMPUTATION_TYPE | QCReader | [static] |
| CUT_RADIUS | QCReader | [static] |
| DELTA_Q | QCReader | [static] |
| DENSITY_FILE | QCReader | [static] |
| DERIV_SHIFT_BHVR | QCReader | [static] |
| DERIVATION_TYPE | QCReader | [static] |
| DIAGO_ALGORITHM | QCReader | [static] |
| ENERGY_MAX_ITER | QCReader | [static] |
| ENERGY_THRESHOLD | QCReader | [static] |
| filename | QCReader | [private] |
| GENERAL_FILE | QCReader | [static] |
| gotoNextLine(void) | QCReader | [private] |
| gotoNextValidLine(void) | QCReader | [private] |
| INIT_DENSITY_MATRIX | QCReader | [static] |
| input | QCReader | [private] |
| inputPath | QCReader | [private] |
| INTG_ACQUISITION_METHOD | QCReader | [static] |
| line | QCReader | [private] |
| lineIsValid(void) | QCReader | [inline, private] |
| MAIN_ALGORITHM | QCReader | [static] |
| MAX_LENGTH | QCReader | [private, static] |
| MODEL_TYPE | QCReader | [static] |
| NB_ATOM_TYPES | QCReader | [static] |
| NB_ATOMS | QCReader | [static] |
| NB_ATOMS_PART | QCReader | [static] |
| NB_PARTITIONS | QCReader | [static] |
| NB_SUBDOMAIN | QCReader | [static] |
| openFile(const string &filename, const string &path=".") | QCReader | |
| PARAMETER_FILE | QCReader | [static] |
| PARAMETER_TYPE | QCReader | [static] |
| PARTITION | QCReader | [static] |
| PARTITION_DESCRIPTION | QCReader | [static] |
| PARTITION_FILE | QCReader | [static] |
| PARTITION_TYPE | QCReader | [static] |
| PARTITION_TYPEP | QCReader | [static] |
| PARTITIONER_TYPE | QCReader | [static] |
| QCReader(void) | QCReader | [inline] |
| READ_PARTITION_FILE | QCReader | [static] |
| readAtomLine(std::string &type, QCFloat *coords, const int dim, int &nfrag, int &nbAA, std::string &fragStr, std::vector< int > &connect) | QCReader | [private] |
| readAtomsFile(const string &name, QCSystem &system, const string &path=".") | QCReader | |
| readCoordLine(std::string &type, QCFloat *coords, const int dim, int &nfrag) | QCReader | [private] |
| readGeneralFile(const string &name, QCGeneralData &data, const string &path=".") | QCReader | |
| readLiteralAndVal(const string &literal, Numeric &ref) | QCReader | [inline] |
| readMasterFile(const string &name, QCFiles &files, const string &path=".") | QCReader | |
| readMultiLiteral(const string &literal) | QCReader | [inline, private] |
| readNewPartitionFile(QCGeneralData &data, TPMDSystem &mdSystem) | QCReader | [private] |
| readOldPartitionFile(QCGeneralData &data, TPMDSystem &mdSystem) | QCReader | [private] |
| readParameterFile(const string &name, TPParam *¶ms, int &nbParams, const string &path=".") | QCReader | |
| readPartitionFile(const string &name, QCGeneralData &data, TPMDSystem &mdSystem, const string &path=".") | QCReader | |
| readValAfterLiteral(const string &literal, Numeric &ref) | QCReader | [inline] |
| RESULT_FILE | QCReader | [static] |
| SHIFT_LEVEL_PARAM | QCReader | [static] |
| SPIN_MULTIPLICITY | QCReader | [static] |
| SYSTEM_CHARGE | QCReader | [static] |
| ~QCReader(void) | QCReader | [inline] |