occ::mults::OrientSite Struct Reference

Parse Orient multipole format from a file or string. More...

#include <orient_io.h>

Collaboration diagram for occ::mults::OrientSite:

Public Attributes
std::string	name
Vec3	position
dma::Mult	multipole

Detailed Description

Parse Orient multipole format from a file or string.

Orient format specification:

• Components are written in order: Q00, Q10, Q11c, Q11s, Q20, Q21c, Q21s, Q22c, Q22s, ...
• This matches OCC's internal Mult storage order

Example Orient site format: C -0.10287 0.00000 0.00001 Rank 4 Type C 1.142734 0.000000 0.163569 0.000000 -0.115661 0.000000 0.000000 0.213489 0.000000 0.000000 -0.452037 0.000000 0.000000 0.000000 -1.755088 0.000000 0.288890 0.000000 0.000000 0.011036 0.000000 0.000000 0.000000 -0.557763 0.000000

Member Data Documentation

multipole

dma::Mult occ::mults::OrientSite::multipole

name

std::string occ::mults::OrientSite::name

position

Vec3 occ::mults::OrientSite::position

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/mults/orient_io.h