sc::RedundantCartesianIter(3)

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version 2.3.1 Β· 4 versions
, in ubuntu jammy

πŸŽ€ NAME πŸŽ€

okay so sc::RedundantCartesianIter β€” from the MPQC manual β€” is the iterator bestie that loops through all possible combinations of a given number of axes. periodt. πŸ’…


🌸 SYNOPSIS 🌸

#include <cartiter.h>

Inherited by sc::RedundantCartesianIterCCA, sc::RedundantCartesianIterCints, and sc::RedundantCartesianIterV3. iykyk. πŸ¦‹

🫢 Public Member Functions 🫢

  • RedundantCartesianIter (int l) β€” creates an object for the given angular momentum. constructor slay. ✨
  • virtual int bfn ()=0 β€” returns the current Cartesian basis function number. πŸ’«
  • void start () β€” initializes the iterator. πŸŽ€
  • void next () β€” moves to the next combination of axes. πŸŒ€
  • operator int () β€” returns nonzero if the iterator currently holds valid data. πŸ‘‘
  • int a () β€” the current exponent of x. 🌸
  • int b () β€” the current exponent of y. πŸ¦‹
  • int c () β€” the current exponent of z. πŸ’œ
  • int l () β€” the angular momentum. ⭐
  • int l (int i) β€” returns a() if i==0, b() if i==1, and c() if i==2. the little index-to-exponent mapping, love that. πŸ”₯
  • int axis (int i) β€” returns the i'th axis. πŸ“

πŸ¦‹ Detailed Description πŸ¦‹

okay so picture this: RedundantCartesianIter objects loop through all possible combinations of a given number of axes. Every single combo, no skips. πŸŒ€

This is used to compute the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system. Rotated coordinate system, bestie β€” that's the whole assignment. πŸ’«


πŸ‘‘ Author πŸ‘‘

Generated automatically by Doxygen for MPQC from the source code. (yup, the robots handled this one, no cap πŸ€–)

mwah πŸ’‹ β€” signed off with version 2.3.1, date Sun Oct 4 2020, and page sc::RedundantCartesianIter(3). bye bestie, go loop those axes πŸ’–βœ¨

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