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Remove writeVIM() method of component class as it is nowhere used
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Signed-off-by: Christoph Niethammer <[email protected]>
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cniethammer committed Feb 8, 2024
1 parent 211ae86 commit e5212ef
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Showing 2 changed files with 0 additions and 11 deletions.
9 changes: 0 additions & 9 deletions src/molecules/Component.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -236,15 +236,6 @@ void Component::write(std::ostream& ostrm) const {
ostrm << _Ipa[0] << " " << _Ipa[1] << " " << _Ipa[2] << std::endl;
}

void Component::writeVIM(std::ostream& ostrm) {
for (auto pos = _ljcenters.cbegin(); pos != _ljcenters.end(); ++pos) {
ostrm << "~ " << this->_id + 1 << " LJ " << std::setw(7) << pos->rx() << ' '
<< std::setw(7) << pos->ry() << ' ' << std::setw(7) << pos->rz() << ' '
<< std::setw(6) << pos->sigma() << ' ' << std::setw(2) << (1 + (this->_id % 9)) << "\n";
}
ostrm << std::flush;
}

std::ostream& operator<<(std::ostream& stream, const Component& component) {
component.write(stream);
return stream;
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2 changes: 0 additions & 2 deletions src/molecules/Component.h
Original file line number Diff line number Diff line change
Expand Up @@ -110,8 +110,6 @@ class Component {
/** write information to stream */
void write(std::ostream& ostrm) const;

void writeVIM(std::ostream& ostrm);

void setE_trans(double E) { _E_trans = E; }
void setE_rot(double E) { _E_rot = E; }
void setT(double T) { _T = T; }
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