sc::TaylorMolecularEnergy(3)

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version 2.3.1 · 5 versions
, in ubuntu jammy

okay so bestie, this is the sc::TaylorMolecularEnergy(3) page from the MPQC manuals — class edition, and it's giving "I inherit from sc::MolecularEnergy" energy. Let's go 💅

NAME 🌸

sc::TaylorMolecularEnergy — that's the class this whole page is about, bestie. No cap.

SYNOPSIS ✨

Inherits sc::MolecularEnergy.

Public Member Functions 🫶

  • TaylorMolecularEnergy (const Ref< KeyVal > &) — a constructor that takes a const Ref< KeyVal > &, exactly like it says on the tin.
  • TaylorMolecularEnergy (StateIn &) — another constructor, this one taking StateIn &.
  • void save_data_state (StateOut &) — saves the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. Same order, bestie — don't play with it.
  • void print (std::ostream &=ExEnv::out0()) const — prints information about the object.
  • void compute () — recompute at least the results that have compute true and are not already computed.
  • int value_implemented () const — availability info: information about the availability of values, gradients, and hessians.
  • int gradient_implemented () const — listed here with no separate description on the page, just the signature.
  • int hessian_implemented () const — same deal: listed, no separate blurb printed.

Additional Inherited Members 💜

The page has this heading but no entries under it — literally nothing extra listed here to relay.

Member Function Documentation 💅

void sc::TaylorMolecularEnergy::compute () [virtual]

Recompute at least the results that have compute true and are not already computed. This should only be called by Result's members.

Implements sc::Compute.

🚨 Caveat bestie: only Result's members should call this — that's the rule on the page.

void sc::TaylorMolecularEnergy::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.

Reimplemented from sc::MolecularEnergy.

⚠️ If you're a derived class with data, you must implement this. Not optional, periodt.

Author 🎀

Generated automatically by Doxygen for MPQC from the source code.

That's the whole page, bestie — source/version/date sign-off: MPQC, version 2.3.1, dated Sun Oct 4 2020. Bye and slay your compute calls responsibly 💖

📦 where this page comes from