sc::Int2eCints(3)

💖 sc::Int2eCints 💖

okay bestie, this is the MPQC manual page for sc::Int2eCints(3) — section 3, iykyk. We're keeping every signature, every protected little attribute, and every detail, no cap. 🫶

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🌸 NAME 🌸

sc::Int2eCints — Int2eCints is an interface to various specializations of two-electron integral evaluators implemented in Cints. That's the name tea, literally. ✨

✨ SYNOPSIS ✨

#include <int2e.h>

Inherits sc::RefCount.

Inherited by sc::EriCints, and sc::GRTCints.

💅 Public Member Functions 💅

• Int2eCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage) — the constructor, bestie. It takes an Integral *, four Ref< GaussianBasisSet > & parameters, and a size_t storage. No extra description in the original; signature only, periodt.
• void init_storage (size_t) — Sets storage limit and starts storage tracking. Storage girlboss era 🔥.
• void done_storage () — Finishes storage tracking. Closing the storage tab, respectfully. ✨
• size_t storage_used () const — Reports how much storage is actually used at a given time. The receipts 💅.
• int redundant () const — Whether redundant integrals are returned. Yes, that's the whole description.
• void set_redundant (int flag) — Set redundant flag. Flag it, bestie 🚩.
• int permute () const — Whether shells can be permuted. Shell shuffle vibe check.
• void set_permute (int flag) — Set shell permutation flag. Permission to permute: granted 🎀.
• virtual void compute_quartet (int *, int *, int *, int *)=0 — Evaluate the target quartet of integrals. Quartet main character energy 👑.
• virtual double * buffer (TwoBodyInt::tbint_type=TwoBodyInt::eri) const =0 — Returns the location of the buffer with target integrals. Buffer location: found 🔍.
• Ref< GaussianBasisSet > basis () — signature only, bestie. No extra description in the original.
• Ref< GaussianBasisSet > basis1 () — same vibe: signature only, no extra description in the original.
• Ref< GaussianBasisSet > basis2 () — signature only, no extra description in the original.
• Ref< GaussianBasisSet > basis3 () — signature only, no extra description in the original.
• Ref< GaussianBasisSet > basis4 () — signature only, no extra description in the original.

🧚 Protected Member Functions 🧚

bestie, these are the protected ones — the original gives the signatures and no extra lore. I'm not inventing any, fr fr.

• void check_storage_ () const
• void transform_contrquartets_ (double *, double *)
• void sort_contrquartets_to_shellquartet_ (double *, double *)
• void permute_target_ (double *, double *, int, int, int)
• void permute_1234_to_1243_ (double *, double *)
• void permute_1234_to_2134_ (double *, double *)
• void permute_1234_to_2143_ (double *, double *)
• void permute_1234_to_3412_ (double *, double *)
• void permute_1234_to_3421_ (double *, double *)
• void permute_1234_to_4312_ (double *, double *)
• void permute_1234_to_4321_ (double *, double *)
• void get_nonredundant_ints_ (double *, double *, int, int, int)

🌟 Static Protected Member Functions 🌟

• static size_t storage_required_ (const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0, const Ref< GaussianBasisSet > &b3=0, const Ref< GaussianBasisSet > &b4=0) — signature only, bestie. No extra description in the original.

🎀 Protected Attributes 🎀

these are just the attributes, exactly as listed. No extra description in the original — attribute only, periodt.

• Integral * integral_
• Ref< GaussianBasisSet > bs1_
• Ref< GaussianBasisSet > bs2_
• Ref< GaussianBasisSet > bs3_
• Ref< GaussianBasisSet > bs4_
• Ref< MessageGrp > grp_
• GaussianShell * int_shell1_
• GaussianShell * int_shell2_
• GaussianShell * int_shell3_
• GaussianShell * int_shell4_
• int permute_
• int redundant_
• size_t storage_
• size_t storage_used_
• double * tformbuf_

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🦋 Detailed Description 🦋

okay so Int2eCints is an interface to various specializations of two-electron integral evaluators implemented in Cints. It is used by TwoBodyIntCints and TwoBodyDerivIntCints to implement IntegralCints. That's the whole plot, and it ate. 💅

🎀 Author 🎀

Generated automatically by Doxygen for MPQC from the source code. Doxygen really said "I'll do it myself" 💀.

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okay that's the whole page, mwah 💖 — Version 2.3.1, dated Sun Oct 4 2020. slay and bye. 🌈