sc::EriCints(3)

πŸ“¦
version 2.3.1 Β· 5 versions
, in ubuntu jammy

🌸 NAME 🌸

Okay bestie, welcome to the sc::EriCints(3) manual page! πŸ’– EriCints is a specialization of Int2eCints that computes electron repulsion integrals. That's the whole mood. ✨

✨ SYNOPSIS ✨

First things first, you include this:

#include <eri.h>

It inherits sc::Int2eCints. πŸ‘‘

🫢 Public Member Functions

  • EriCints (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, size_t storage) β€” here's the full constructor-shaped signature, no skips, no crumbs. πŸ’…
  • double * buffer (TwoBodyInt::tbint_type te_type) const β€” returns the location of the buffer with target integrals. Literally the buffer locator. πŸŽ€
  • void compute_quartet (int *, int *, int *, int *) β€” evaluate the target quartet of integrals. Quartet said slay. πŸ”₯

πŸŽ€ Static Public 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) β€” this is the static helper signature in full. The page doesn't spill extra tea about it, so here it is exactly as listed. 🫢

πŸ¦‹ Additional Inherited Members

There are additional inherited members, and this page just gives us that heading. Not me expecting more lore and getting a heading. πŸ’€

πŸ’… DETAILED DESCRIPTION πŸ’…

Okay so the detailed description is literally the same iconic sentence as NAME: EriCints is a specialization of Int2eCints that computes electron repulsion integrals. Periodt. 🌈

πŸ‘‘ AUTHOR πŸ‘‘

Generated automatically by Doxygen for MPQC from the source code. So yes, the robot wrote it, and she ate. πŸ’–


That's the whole page, bestie! 🫢 This cutie is from MPQC, version 2.3.1, dated Sun Oct 4 2020. βœ¨πŸ‘‘

πŸ“¦ where this page comes from