PyFrag
|
| CP2K_Result (qmworks.packages.cp2k_package) | Fragment (qmworks.components.fde) | MoleculeError (qmworks.plams.core.errors) | PyFragJob (qmworks.packages.PyFragModules) | ||
Cp2kJob (qmworks.plams.interfaces.cp2k) |
| MultiJob (qmworks.plams.core.basejob) | PyFragResult (qmworks.packages.PyFragModules) | |||
_MetaResults (qmworks.plams.core.results) |
|
|
| |||
_MetaRunner (qmworks.plams.core.jobrunner) | GAMESS (qmworks.packages.gamess) | |||||
| DensfJob (qmworks.plams.interfaces.adfsuite) | Gamess_Result (qmworks.packages.gamess) | NumGradJob (qmworks.plams.tools.numdiff) | Result (qmworks.packages.packages) | ||
DensfResults (qmworks.plams.interfaces.adfsuite) | GamessJob (qmworks.plams.interfaces.gamess) | NumGradResults (qmworks.plams.tools.numdiff) | Results (qmworks.plams.core.results) | |||
ADF (qmworks.packages.SCM) | DFTB (qmworks.packages.SCM) | GridRunner (qmworks.plams.core.jobrunner) |
| ResultsError (qmworks.plams.core.errors) | ||
ADF_Result (qmworks.packages.SCM) | DFTB_Result (qmworks.packages.SCM) |
|
| |||
ADFJob (qmworks.plams.interfaces.adfsuite) | DFTBJob (qmworks.plams.interfaces.adfsuite) | ORCA (qmworks.packages.orca) | ||||
ADFNumGradJob (qmworks.plams.tools.numdiff) | DFTBNumGradJob (qmworks.plams.tools.numdiff) | Job (qmworks.plams.core.basejob) | ORCA_Result (qmworks.packages.orca) | SCMJob (qmworks.plams.interfaces.adfsuite) | ||
ADFResults (qmworks.plams.interfaces.adfsuite) | DFTBResults (qmworks.plams.interfaces.adfsuite) | JobError (qmworks.plams.core.errors) | ORCAJob (qmworks.plams.interfaces.orca) | SCMResults (qmworks.plams.interfaces.adfsuite) | ||
Angle (qmworks.components.reactivity) | Dihedral (qmworks.components.reactivity) | JobManager (qmworks.plams.core.jobmanager) |
| SerMol (qmworks.packages.packages) | ||
Atom (qmworks.plams.core.basemol) | DIRAC (qmworks.packages.dirac) | JobRunner (qmworks.plams.core.jobrunner) | SerMolecule (qmworks.packages.packages) | |||
| DIRAC_Result (qmworks.packages.dirac) |
| Package (qmworks.packages.packages) | SerSettings (qmworks.packages.packages) | ||
DiracJob (qmworks.plams.interfaces.dirac) | Package_pyfrag (qmworks.packages.packages) | Settings (qmworks.plams.core.settings) | ||||
BANDJob (qmworks.plams.interfaces.adfsuite) | DiracResults (qmworks.plams.interfaces.dirac) | KFFile (qmworks.plams.tools.kftools) | PDBHandler (qmworks.plams.tools.pdbtools) | Settings (qmworks.settings) | ||
BANDNumGradJob (qmworks.plams.tools.numdiff) | Distance (qmworks.components.reactivity) | KFReader (qmworks.plams.tools.kftools) | PDBRecord (qmworks.plams.tools.pdbtools) | SingleJob (qmworks.plams.core.basejob) | ||
BANDResults (qmworks.plams.interfaces.adfsuite) |
|
| PeriodicTable (qmworks.plams.tools.utils) | StoreasHDF5 (qmworks.hdf5.quantumHDF5) | ||
Bond (qmworks.plams.core.basemol) | PES (qmworks.components.reactivity) |
| ||||
| FCFJob (qmworks.plams.interfaces.adfsuite) | Maybe (qmworks.utils) | PlamsError (qmworks.plams.core.errors) | |||
FCFResults (qmworks.plams.interfaces.adfsuite) | MFCC_Result (qmworks.components.fde) | PTError (qmworks.plams.core.errors) | Units (qmworks.plams.tools.utils) | |||
CP2K (qmworks.packages.cp2k_package) | FileError (qmworks.plams.core.errors) | Molecule (qmworks.plams.core.basemol) | PyFrag (qmworks.packages.SCM) | UnitsError (qmworks.plams.core.errors) | ||