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External_components
Francois Mauger edited this page Jul 7, 2024
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The QMol-grid package relies on a handful of externally-developped classes
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convertLaser- Miscellaneous conversions for laser fields -
convertUnit- Miscellaneous unit conversions -
fourierTool- Miscellaneous tools for (fast) Fourier transforms
This wiki is a copy of the documentation provided with the QMol-grid package (accessible in MATLAB documentation, via the "Supplemental Software" section).
Copyright © 2024, Francois Mauger, all right reserved.
Density-functional theory (DFT)
QMol_DFT_densityQMol_DFT_eigsQMol_DFT_eig_basisQMol_DFT_orbitalQMol_DFT_orbital_basisQMol_DFT_profilerQMol_DFT_SCF_AndersonQMol_DFT_spinPolQMol_DFT_spinResQMol_DFT_Vc_LDA_softQMol_DFT_VextQMol_DFT_Vh_convQMol_DFT_Vh_fftQMol_DFT_VksQMol_DFT_Vks_basisQMol_DFT_Vks_gradQMol_DFT_Vx_LDA_expQMol_DFT_Vx_LDA_softQMol_DFT_Vx_XX_convQMol_DFT_Vx_XX_fft
Tutorials
- Tutorial 1: Schrödinger-equation ground state
- Tutorial 2: Schrödinger-equation input and output
- Tutorial 3: Time-dependent Schrödinger equation
- Tutorial 4: Time-dependent Schrödinger-equation input and output
- Tutorial 5: Density-functional theory ground state
- Tutorial 6: Time-dependent density-functional theory
- Tutorial 7: Time-dependent density-functional theory input and output