#include <activedensitymatrix.h>
Definition at line 28 of file activedensitymatrix.h.
◆ ActiveDensityMatrix()
| votca::xtp::ActiveDensityMatrix::ActiveDensityMatrix |
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Orbitals & |
orbitals, |
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std::vector< Index > |
activeatoms, |
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double |
threshold = 0.4 |
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) |
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inline |
◆ activedensitymatrix()
| std::array< Eigen::MatrixXd, 3 > votca::xtp::ActiveDensityMatrix::activedensitymatrix |
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const Eigen::MatrixXd & |
localized_mo_coeff | ) |
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◆ compute_Dmat_A()
| std::array< Eigen::MatrixXd, 3 > votca::xtp::ActiveDensityMatrix::compute_Dmat_A |
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| ) |
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◆ activeatoms_
| std::vector<Index> votca::xtp::ActiveDensityMatrix::activeatoms_ |
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private |
◆ orbitals_
| Orbitals& votca::xtp::ActiveDensityMatrix::orbitals_ |
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private |
◆ threshold_
| double votca::xtp::ActiveDensityMatrix::threshold_ |
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private |
The documentation for this class was generated from the following files:
