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] |