sc::TwoBodyMOIntsTransform_ixjy(3)

💅 NAME 💅

sc::TwoBodyMOIntsTransform_ixjy — okay so this girl computes (ix|jy) integrals using a parallel integrals-direct AO->MO transformation. That's the whole vibe, bestie. ✨

This page lives in the MPQC manual, and it is so much. 🎀

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🦋 SYNOPSIS 🦋

#include <transform_ixjy.h>

Inherits sc::TwoBodyMOIntsTransform — yes she's a daughter class, main character energy inherited from her parent fr fr. 👑

🌸 Public Member Functions 🌸

• TwoBodyMOIntsTransform_ixjy(StateIn &) — the CTOR that takes a StateIn &, doing her little restore-from-state thing.
• TwoBodyMOIntsTransform_ixjy(const std::string &name, const Ref<MOIntsTransformFactory> &factory, const Ref<MOIndexSpace> &space1, const Ref<MOIndexSpace> &space2, const Ref<MOIndexSpace> &space3, const Ref<MOIndexSpace> &space4) — the full-glowup CTOR: takes a name, a factory, and four whole MOIndexSpace refs (space1, space2, space3, space4). Four spaces, no notes. 💅
• 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. Order matters, don't @ me.
• std::string type() const — her implementation of TwoBodyMOIntsTransform::type(). She's just being herself. 🪞
• const size_t memgrp_blksize() const — returns the number of bytes allocated for each ij-block of integrals of one type in MemoryGrp. Literally just handing you a number. 📏
• void compute() — computes transformed integrals. That's it. That's the function. 🔥
• void check_int_symm(double threshold=TwoBodyMOIntsTransform::zero_integral) const throw (ProgrammingError) — checks the symmetry of transformed integrals, with threshold defaulting to TwoBodyMOIntsTransform::zero_integral. And yes, she can throw (ProgrammingError) at you if the vibes are off. 😭

🫶 Additional Inherited Members 🫶

There's more where that came from — this class carries inherited members too, iykyk.

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✨ Detailed Description ✨

TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation.

That's the lore. That's the whole plot. 🌈

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💖 Member Function Documentation 💖

💫 void sc::TwoBodyMOIntsTransform_ixjy::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.

bestie pls note: it's [virtual] and it's reimplemented from sc::SavableState. Don't skip the ordering, the ordering is the whole thing. 🙈

Reimplemented from sc::SavableState.

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🍓 Author 🍓

Generated automatically by Doxygen for MPQC from the source code. So like… the robots wrote her bio, not me. 💀

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Version 2.3.1 · dated Sun Oct 4 20 — that's the source/version and date, mwah 🫶 slay, bye! 💜🧚‍♀️