OpenCAP
Electronic structure of metastable states
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CAOCAP | Class for numerically integrating the CAP matrix in AO basis |
CAtom | Object for storing atomic data |
CBasisSet | Object for storing basis set information |
CBasisSetParser | Parses the ab initio basis set from a basis set file |
Cbf_id | Struct for ID of basis function |
Cbox_cap | |
CCAP | Class which handles computing the CAP matrix |
CCAPHamiltonian | |
Cclosed_key | Struct denoting a keyword which can only have certain values |
CEigenvalueTrajectory | |
Celement | Object for storing element data |
CException | Class for handling nested exceptions. Adapted from: https://github.com/GPMueller/mwe-cpp-exception |
Cgto | Class for a group of atomic orbitals with the same angular momentum and exponents |
Copen_key | Struct denoting a keyword which can have many different values |
Croot | |
CShell | |
Cshell_id | Struct for ID of Shell |
CSystem | Class which holds molecular geometry and basis set data |
Cvoronoi_cap |