Compute the energy-weighted density matrix.
Type | Intent | Optional | Attributes | Name | ||
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type(Matrix_ps), | intent(in) | :: | Hamiltonian | The matrix to compute from. |
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type(Matrix_ps), | intent(in) | :: | Density | The density matrix. |
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type(Matrix_ps), | intent(inout) | :: | EnergyDensity | The energy-weighted density matrix. |
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real(kind=NTREAL), | intent(in), | optional | :: | threshold_in | Threshold for flushing small values (default = 0). |