votca::xtp::PotentialIO::data Struct Reference

Public Attributes
Index	atomid
double	x
double	y
double	z
Index	power
Index	l
double	coeff
double	decay

Detailed Description

Definition at line 120 of file ecpaobasis.cc.

Member Data Documentation

atomid

Index votca::xtp::PotentialIO::data::atomid

Definition at line 121 of file ecpaobasis.cc.

coeff

double votca::xtp::PotentialIO::data::coeff

Definition at line 127 of file ecpaobasis.cc.

decay

double votca::xtp::PotentialIO::data::decay

Definition at line 128 of file ecpaobasis.cc.

l

Index votca::xtp::PotentialIO::data::l

Definition at line 126 of file ecpaobasis.cc.

power

Index votca::xtp::PotentialIO::data::power

Definition at line 125 of file ecpaobasis.cc.

x

double votca::xtp::PotentialIO::data::x

Definition at line 122 of file ecpaobasis.cc.

y

double votca::xtp::PotentialIO::data::y

Definition at line 123 of file ecpaobasis.cc.

z

double votca::xtp::PotentialIO::data::z

Definition at line 124 of file ecpaobasis.cc.

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

• xtp/src/libxtp/ecpaobasis.cc