occ::driver::DMAReferenceLevel Struct Reference

Reference QM level for the monomer multipoles in the DMA+exp-6 model. More...

#include <cg_runner.h>

Public Attributes
std::string	model {"ce-b3lyp"}
std::string	method {""}
	empty -> taken from model
std::string	basis {""}
	empty -> taken from model

Detailed Description

Reference QM level for the monomer multipoles in the DMA+exp-6 model.

model implies method and basis; non-empty overrides win.

Member Data Documentation

basis

std::string occ::driver::DMAReferenceLevel::basis {""}

empty -> taken from model

method

std::string occ::driver::DMAReferenceLevel::method {""}

empty -> taken from model

model

std::string occ::driver::DMAReferenceLevel::model {"ce-b3lyp"}

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

• /home/runner/work/occ/occ/include/occ/driver/cg_runner.h