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Morten Ledum's Projects

neuralnetwork icon neuralnetwork

Simple feed-forward artificial neural network written in C++.

numgrid icon numgrid

Numerical integration grid for molecules.

occamtools icon occamtools

Analysis and synthesis tools for OCCAM molecular dynamics/hybrid particle-field simulations

pfunit icon pfunit

Mirror of PFUnit repository (http://git.code.sf.net/p/pfunit/code)

randomnumbergenerator icon randomnumbergenerator

A random number generator wrapping class. It uses c++11 to generate random numbers in a thread safe way.

tfpotential icon tfpotential

An artificial neural network framework written to allow training on multi dimensional potential energy surface data set, resulting from ab initio calculations at e.g. the Hartree-Fock level of theory.

vmc icon vmc

Variational Monte Carlo solver for atoms and diatomic molecules written from scratch in C++. It is possible to use the output HF basis from github.com/mortele/Hartree-Fock as the Slater determinant and let the VMC scheme optimize only the Jastrow factor.

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