sc::HSOSHF(3)

📦
version 2.3.1 · 5 versions
, in ubuntu jammy

🌸 NAME 🌸

sc::HSOSHF — bestie, this is the manual page for sc::HSOSHF(3), and the whole point is: HSOSHF is a Hartree-Fock specialization of HSOSSCF. That’s the vibe, no cap. 💖

✨ SYNOPSIS ✨

Include it like this, exactly:

#include <hsoshf.h>

And it inherits sc::HSOSSCF — yes, we love an inheritance moment. 👑

💖 Public Member Functions 💖

  • HSOSHF (StateIn &) — constructor bestie, taking a StateIn &.
  • HSOSHF (const Ref< KeyVal > &) — another constructor, this time from a const Ref< KeyVal > &.
  • void save_data_state (StateOut &) — save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. ✨
  • void print (std::ostream &o=ExEnv::out0()) const — print information about the object, with that exact default ExEnv::out0().
  • void two_body_energy (double &ec, double &ex) — signature only on this page, but here it is in full.
  • int value_implemented () const — information about the availability of values, gradients, and hessians.
  • int gradient_implemented () const — signature only, exactly as listed.

🎀 Protected Member Functions 🎀

These are the protected besties, not for everyone’s eyes:

  • void ao_fock (double accuracy)
  • void two_body_deriv (double *)

🦋 Additional Inherited Members 🦋

The page has this heading, but the original doesn’t list any inherited members under it before jumping into the detailed description — so I’m not inventing any, fr fr. 💅

🌈 Detailed Description 🌈

HSOSHF is a Hartree-Fock specialization of HSOSSCF. That’s literally the whole detailed description, and it ate. Periodt. 💜

✨ Member Function Documentation ✨

void sc::HSOSHF::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.

This must be implemented by the derived class if the class has data — important caveat, bestie, don’t skip it. 🫶

Reimplemented from sc::MolecularEnergy.

💌 Author 💌

Generated automatically by Doxygen for MPQC from the source code. Iconic tooling behavior, honestly. 😭

Version 2.3.1 — dated Sun Oct 4 2020 — that’s the footer, bestie, and the manual name is sc::HSOSHF(3). Bye! 💅🎀🦋

📦 where this page comes from