occ
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Public Attributes | List of all members
occ::xtb::ShellTable Struct Reference

#include <gamma.h>

Public Attributes

std::vector< int > atom
 
std::vector< int > elem_shell
 
Vec hardness
 
Vec self_energy_ev
 
Vec kcn
 
Vec shell_poly
 
Vec ref_occ
 
IVec ang_mom
 
IVec n_quantum
 
Vec third_order
 

Member Data Documentation

◆ ang_mom

IVec occ::xtb::ShellTable::ang_mom

◆ atom

std::vector<int> occ::xtb::ShellTable::atom

◆ elem_shell

std::vector<int> occ::xtb::ShellTable::elem_shell

◆ hardness

Vec occ::xtb::ShellTable::hardness

◆ kcn

Vec occ::xtb::ShellTable::kcn

◆ n_quantum

IVec occ::xtb::ShellTable::n_quantum

◆ ref_occ

Vec occ::xtb::ShellTable::ref_occ

◆ self_energy_ev

Vec occ::xtb::ShellTable::self_energy_ev

◆ shell_poly

Vec occ::xtb::ShellTable::shell_poly

◆ third_order

Vec occ::xtb::ShellTable::third_order
The documentation for this struct was generated from the following file: