/

Python

Installation
Getting started
Optimizers
Potentials
Systems
Landscape
Database
Utilities
Source API

C++

Overview
Optimizers
Potentials
Classes & interfaces
Namespaces
Functions
Source files

On this page

GMINPotential.NumericalDerivative()

pele /
Potentials (pele.potentials) /
pele.potentials.GMINPotential /
pele.potentials.GMINPotential.NumericalDerivative

pele.potentials.GMINPotential.NumericalDerivative#

GMINPotential.NumericalDerivative(coords, eps=1e-06)[source]#: return the gradient calculated numerically

pele.potentials.GMINPotential

pele.potentials.GMINPotential.NumericalHessian

2012–2026, the pele developers

Made with Sphinx and Shibuya theme.