accept() | BraboBase | [protected, slot] |
addBasisset() | BraboBase | [private, slot] |
addPVMHost() | BraboBase | [private, slot] |
addRowFORC() | BraboBase | [private, slot] |
addRowINTE() | BraboBase | [private, slot] |
addRowMain() | BraboBase | [private, slot] |
addRowPVM() | BraboBase | [private, slot] |
addRowSCF() | BraboBase | [private, slot] |
adjustPrintSCF() | BraboBase | [private, slot] |
ADVANCED enum value | BraboBase | [private] |
ADVANCED_METHOD enum value | BraboBase | [private] |
ADVANCED_OTHER enum value | BraboBase | [private] |
ADVANCED_SYMMETRY enum value | BraboBase | [private] |
atoms | BraboBase | [private] |
BASIC enum value | BraboBase | [private] |
basissets(bool &ok) | BraboBase | |
BRABO enum value | BraboBase | |
BraboBase(AtomSet *atoms, QWidget *parent=0, const char *name=0, bool modal=FALSE, WFlags fl=0) | BraboBase | |
buildAtdens() | BraboBase | [private] |
calcDescription | BraboBase | [private] |
calcForces | BraboBase | [private] |
calcName | BraboBase | [private] |
calcXF | BraboBase | [private] |
Categories enum name | BraboBase | [private] |
category | BraboBase | [private] |
changed() | BraboBase | [private, slot] |
checkOverflowFORC(int row, int col) | BraboBase | [private, slot] |
checkOverflowINTE(int row, int col) | BraboBase | [private, slot] |
checkOverflowMain(int row, int col) | BraboBase | [private, slot] |
checkOverflowPVM(int row, int col) | BraboBase | [private, slot] |
checkOverflowSCF(int row, int col) | BraboBase | [private, slot] |
clearSelectionFORC() | BraboBase | [private, slot] |
clearSelectionINTE() | BraboBase | [private, slot] |
clearSelectionMain() | BraboBase | [private, slot] |
clearSelectionPVM() | BraboBase | [private, slot] |
clearSelectionSCF() | BraboBase | [private, slot] |
data | BraboBase | [private] |
DEBUG1 enum value | BraboBase | [private] |
EXTRA enum value | BraboBase | [private] |
EXTRA_FORC enum value | BraboBase | [private] |
EXTRA_INTE enum value | BraboBase | [private] |
EXTRA_MAIN enum value | BraboBase | [private] |
EXTRA_PVM enum value | BraboBase | [private] |
EXTRA_SCF enum value | BraboBase | [private] |
fillComboBoxes() | BraboBase | [private] |
generateAtdens(bool &ok) | BraboBase | |
generateInput(unsigned int program) | BraboBase | |
init() | BraboBase | [private] |
loadCML(const QDomElement *root) | BraboBase | |
makeConnections() | BraboBase | [private] |
maxIterations() const | BraboBase | |
method() const | BraboBase | |
oneBasisset(bool on) | BraboBase | [private, slot] |
parsedNUCLlines() | BraboBase | [private] |
preferredBasisset | BraboBase | [private, static] |
Programs enum name | BraboBase | |
PROPERTIES enum value | BraboBase | [private] |
PROPERTIES_CHARGES enum value | BraboBase | [private] |
PROPERTIES_OTHER enum value | BraboBase | [private] |
PVM enum value | BraboBase | [private] |
pvmHosts | BraboBase | [private, static] |
readInputFile() | BraboBase | [private, slot] |
reject() | BraboBase | [protected, slot] |
removeBasisset() | BraboBase | [private, slot] |
removePVMHost() | BraboBase | [private, slot] |
removeRowFORC() | BraboBase | [private, slot] |
removeRowINTE() | BraboBase | [private, slot] |
removeRowMain() | BraboBase | [private, slot] |
removeRowPVM() | BraboBase | [private, slot] |
removeRowSCF() | BraboBase | [private, slot] |
reset() | BraboBase | [slot] |
restoreWidgets() | BraboBase | [private] |
saveCML(QDomElement *root) | BraboBase | |
saveWidgets() | BraboBase | [private] |
SCFCONVERGENCE enum value | BraboBase | [private] |
selectStartvector() | BraboBase | [private, slot] |
selectWidget(QListViewItem *) | BraboBase | [private, slot] |
setDescription(const QString description) | BraboBase | |
setExtendedFormat(const bool state) | BraboBase | |
setForces(const bool state) | BraboBase | |
setName(const QString name) | BraboBase | |
setPreferredBasisset(const unsigned int basisset) | BraboBase | [static] |
setPVMHosts(const QStringList &hosts) | BraboBase | |
showPreview() | BraboBase | [private, slot] |
startVector(bool &prefer, unsigned int &size1, unsigned int &size2) | BraboBase | |
STOCK enum value | BraboBase | |
toggleDIIS(bool on) | BraboBase | [private, slot] |
updateSCFMethodWidgets(int index) | BraboBase | [private, slot] |
updateSCFTypeWidgets(int index) | BraboBase | [private, slot] |
widgetChanged | BraboBase | [private] |
xml | BraboBase | [private, static] |
~BraboBase() | BraboBase | |