sc::PsiHSOSHF(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

💅 sc::PsiHSOSHF(3) 💅

💖 NAME 💖

okay so this is the MPQC manual page for sc::PsiHSOSHF(3), and the whole vibe is: PsiHSOSHF is a concrete implementation of Psi ROHF wave function. That's the name-and-purpose check, bestie. ✨

🌸 SYNOPSIS 🌸

#include <psiwfn.h>

Inherits sc::PsiSCF.

✨ Public Member Functions ✨

  • PsiHSOSHF (const Ref< KeyVal > &) — constructor that takes a const Ref< KeyVal > &. Signature only on the page, no extra lore. 💅
  • PsiHSOSHF (StateIn &) — constructor that takes a StateIn &. Again, signature only. 🫶
  • void write_basic_input (int conv) — Writes out Psi input file entries specific to this PsiWavefunction. The input file is assumed to have been opened. ✍️
  • int spin_polarized () — Return 1 if the alpha density is not equal to the beta density. That's the whole rule, no cap. 🔥
  • int gradient_implemented () const — signature only on the page, so no invented extra details. 💀
  • PsiSCF::RefType reftype () const — Returns the PsiSCF::RefType of this particular Psi SCF wave function. periodt. 👑

🛡️ 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 🫶

Yep, this heading is here too — the page keeps a spot for additional inherited members, and that's the whole vibe check on this section. 🌈

🔥 Detailed Description 🔥

PsiHSOSHF is a concrete implementation of Psi ROHF wave function. literally the main-character sentence of this page. 💖

📚 Member Function Documentation 📚

💥 void sc::PsiHSOSHF::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. Not me handwriting it in glitter gel pen, but close enough. 💅

That's the whole page, bestie — signing off from the MPQC manual with version 2.3.1, dated Sun Oct 4 2020, page sc::PsiHSOSHF(3). 🫶✨

📦 where this page comes from