sc::PetiteList(3)

💖 NAME 💖

sc::PetiteList — the iconic little list class that keeps your symmetry stuff cute and organised ✨

okay bestie, real talk: this whole page is the manual for sc::PetiteList, which lives in MPQC's sc namespace. She's a class. She's got a whole roster of member functions. Let's get into it 💅

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✨ SYNOPSIS ✨

She inherits sc::RefCount. That's the family tree, no cap. 🌳

Inherits sc::RefCount.

🫶 Public Member Functions

here's the full lineup, copied exactly, because we do not mess with signatures in this house 🎀

PetiteList (const Ref< GaussianBasisSet > &, const Ref< Integral > &)
Ref< GaussianBasisSet > basis ()
Ref< Integral > integral ()
Ref< PetiteList > clone ()
int nirrep () const
int order () const
int atom_map (int n, int g) const
int shell_map (int n, int g) const
int lambda (int ij) const
int lambda (int i, int j) const
int in_p1 (int n) const
int in_p2 (int ij) const
int in_p2 (int i, int j) const
int in_p4 (int ij, int kl, int i, int j, int k, int l) const
int in_p4 (int i, int j, int k, int l) const
int nfunction (int i) const
int nblocks () const
void print (std::ostream &=ExEnv::out0(), int verbose=1)
RefSCDimension AO_basisdim ()
RefSCDimension SO_basisdim ()
RefSCMatrix r (int g)
SO_block * aotoso_info ()
RefSCMatrix aotoso ()
RefSCMatrix sotoao ()
void symmetrize (const RefSymmSCMatrix &skel, const RefSymmSCMatrix &sym)
RefSymmSCMatrix to_SO_basis (const RefSymmSCMatrix &)
RefSymmSCMatrix to_AO_basis (const RefSymmSCMatrix &)
RefSCMatrix evecs_to_AO_basis (const RefSCMatrix &)
RefSCMatrix evecs_to_SO_basis (const RefSCMatrix &)

• in_p2 (int i, int j) const — literally the same as the one above it, except it takes i and j separately instead of as one ij. splitting the duo, iconic behaviour 💅
• in_p4 (int i, int j, int k, int l) const — same as the in_p4 above, except it doesn't assume ij > kl and it recomputes them. so like. she does the extra work. respect 🫶

🦋 pro tip from your girl: print has defaults, bestie — the stream defaults to ExEnv::out0() and verbose defaults to 1. so you can just yell print() and she'll handle it ✨

👑 Public Member Functions inherited from sc::RefCount

• int lock_ptr () const — lock this object 🔒
• int unlock_ptr () const — unlock this object 🔓
• void use_locks (bool inVal) — start and stop using locks on this object
• refcount_t nreference () const — return the reference count
• refcount_t reference () — increment the reference count and return the new count
• refcount_t dereference () — decrement the reference count and return the new count
• int managed () const — no description given, she's mysterious like that 🙈
• void unmanage () — turn off the reference counting mechanism for this object
• int managed () const — return 1 if the object is managed, otherwise return 0

🌸 Public Member Functions inherited from sc::Identity

• Identifier identifier () — return the Identifier for this argument 🪪

🎀 Additional Inherited Members

💜 Protected Member Functions inherited from sc::RefCount

RefCount (const RefCount &)
RefCount & operator= (const RefCount &)

yes those are the copy constructor and the assignment operator, and yes they're protected, we don't talk about them in public 💀

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🧚 Author 🧚

Generated automatically by Doxygen for MPQC from the source code. so nobody hand-wrote this and honestly? slay, the robots ate 🤖✨

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and that's the whole page, bestie!! this was sc::PetiteList(3) from the MPQC manual, Version 2.3.1 — go forth and symmetrize responsibly 💖🦋🎀 periodt ✨