Kindfield
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![]() ![]() | Calculates the Boys function efficiently for any argument and level |
![]() ![]() | Helper class for fast evaluations in BoysFunction |
![]() ![]() | Base class for any type of electronic system |
![]() ![]() ![]() | Electron system based on Gaussian type orbitals |
![]() ![]() ![]() | Deprecated test class for Helium system |
![]() ![]() ![]() | Deprecated test class for Hydrogen molecule system |
![]() ![]() ![]() | Deprecated test class for Hydrogen molecule system |
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![]() ![]() | Defines the position, charge and basis functions assigned to a nucleus |
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![]() ![]() | Base class for the Hartree-Fock type solvers |
![]() ![]() ![]() | Solver for the Roothan equation |
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![]() ![]() | Solver using only a Hartree wave function |
![]() ![]() | Sets up and solves the recurrence relations for E used in all the integrals |
![]() ![]() | Sets up and solves the recurrence relations for R used in the Coulomb integrals |
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![]() ![]() | Simple 3D vector class with focus on performance and readability |
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