pele
Python energy landscape explorer
pele::HarmonicCOM Member List
This is the complete list of members for pele::HarmonicCOM, including all inherited members.
_distancepele::BaseHarmonic [protected]
_get_distance(const pele::Array< double > &x)pele::HarmonicCOM [inline, virtual]
_kpele::BaseHarmonic [protected]
_ndimpele::BaseHarmonic [protected]
_nparticlespele::BaseHarmonic [protected]
_originpele::BaseHarmonic [protected]
add_energy_gradient(Array< double > x, Array< double > grad)pele::BasePotential [inline, virtual]
add_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess)pele::BasePotential [inline, virtual]
BaseHarmonic(const pele::Array< double > origin, const double k, const size_t ndim)pele::BaseHarmonic [inline, protected]
get_energy(pele::Array< double > x)pele::BaseHarmonic [inline, virtual]
get_energy_gradient(pele::Array< double > x, pele::Array< double > grad)pele::BaseHarmonic [inline, virtual]
get_energy_gradient_hessian(Array< double > x, Array< double > grad, Array< double > hess)pele::BasePotential [inline, virtual]
get_hessian(Array< double > x, Array< double > hess)pele::BasePotential [inline, virtual]
get_k()pele::BaseHarmonic [inline]
HarmonicCOM(pele::Array< double > origin, double k, size_t ndim)pele::HarmonicCOM [inline]
numerical_gradient(Array< double > x, Array< double > grad, double eps=1e-6)pele::BasePotential [inline, virtual]
numerical_hessian(Array< double > x, Array< double > hess, double eps=1e-6)pele::BasePotential [inline, virtual]
set_k(double newk)pele::BaseHarmonic [inline]
~BaseHarmonic()pele::BaseHarmonic [inline, virtual]
~BasePotential()pele::BasePotential [inline, virtual]
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