Dynamics of Condensed Matter @ Paderborn University

Dynamics of Condensed Matter @ Paderborn University's repositories

SFG-spectra-tool

This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces

Language:C++8 10

NNVMC

C++ library for Variational Monte Carlo simulations with Neural Networks as trial wavefunctions.

Language:C++NOASSERTION4 40

sannifa

Simple Artificial Neural Network Interface for Function Approximation

Language:C++NOASSERTION3 30

VMCPlusPlus

C++ Variational Monte Carlo library

Language:C++NOASSERTION3 4 4

QNets

C++ library that allows to use (Feed Forward) Neural Networks in C++ with a few simple commands.

Language:C++NOASSERTION2 3 11

RPMD_Mainz

in house classical MD software

Language:Fortran2 4 3

cp2k

Quantum chemistry and solid state physics software package

Language:FortranGPL-2.01 20

MCIntegratorPlusPlus

C++ library for Monte Carlo numerical integrations

Language:C++NOASSERTION1 3 3

NoisyFunMin

Minimisation C++ library for noisy functions

Language:C++NOASSERTION1 3 1

HswfQMC

Hydrogen Shadow Wave Function Quantum Monte Carlo

Language:MakefileNOASSERTION020

SubmatrixMethod

Massively parallel implementation for the approximate computation of inverse p-th roots of large sparse matrices

Language:CMIT000

dippol

Dipole-induced dipole model: Calculating condensed phase molecular dipole moments and polarizabilities based on atomic positions and (ab initio) gas phase dipoles and (hyper)polarizabilities

Language:C++GPL-3.0010

i-pi

i-PI: a universal force engine

Language:Python020

loos

LOOS: a lightweight object-oriented structure analysis library

Language:C++GPL-3.0010

lspp

Grand-canonical eigenvalue solver

Language:C++020

madQMC

[work in progress]

NOASSERTION020

markuspline

Fortran module for managing splines

Language:FortranNOASSERTION020

MCIntegrator

Fortran tools for numerical Monte Carlo integration

Language:FortranNOASSERTION020