sc::PsiUHF(3)

✨ NAME ✨

okay so this is sc::PsiUHF(3), straight outta the MPQC manual — and it’s giving PsiUHF is a concrete implementation of Psi UHF wave function, no cap 💅

🦋 SYNOPSIS 🦋

#include <psiwfn.h>

Inherits sc::PsiSCF.

💖 Public Member Functions 💖

• PsiUHF (const Ref< KeyVal > &) — constructor bestie, takes a Ref< KeyVal >.
• PsiUHF (StateIn &) — another constructor, this one takes a StateIn &.
• void write_basic_input (int conv) — writes out Psi input file entries specific to this PsiWavefunction.
• int spin_polarized () — returns 1 if the alpha density is not equal to the beta density.
• int gradient_implemented () const — that’s the whole signature, no extra description in the source.
• PsiSCF::RefType reftype () const — returns the PsiSCF::RefType of this particular Psi SCF wave function.

🎀 Protected Member Functions 🎀

• void write_input (int conv) — prepares a complete Psi input file. The input file is assumed to have been opened.

🌸 Additional Inherited Members 🌸

There are additional inherited members too — inherited, not re-listed here, iykyk 🫶

💅 DETAILED DESCRIPTION 💅

PsiUHF is a concrete implementation of Psi UHF wave function. Periodt.

🌈 MEMBER FUNCTION DOCUMENTATION 🌈

👑 void sc::PsiUHF::write_basic_input (int conv) [virtual] 👑

Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have been opened.

Reimplemented from sc::PsiWavefunction.

⭐ AUTHOR ⭐

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1, Sun Oct 4 2020 — generated automatically by Doxygen for MPQC from the source code. Bye bestie, slay 💅💖