Pinned Repositories
cluster-analysis
Collection of input files relevant to our paper on cluster analysis as implemented in TRAVIS
clustersets
Collection of cluster sets for QCE calculations
conan
conan_manual
il-benchmark
Files and data related to our paper on benchmarking the calculations of dynamic properties of ionic liquids
mqce-data
Collection of input files relevant to our paper on mQCE theory.
msdiff
Calculating diffusion coefficients and conductivities from MD simulations
peacemaker3
Peacemaker program package for Quantum Cluster Equilibrium calculations
kirchners-manta's Repositories
kirchners-manta/peacemaker3
Peacemaker program package for Quantum Cluster Equilibrium calculations
kirchners-manta/cluster-analysis
Collection of input files relevant to our paper on cluster analysis as implemented in TRAVIS
kirchners-manta/clustersets
Collection of cluster sets for QCE calculations
kirchners-manta/conan
kirchners-manta/conan_manual
kirchners-manta/il-benchmark
Files and data related to our paper on benchmarking the calculations of dynamic properties of ionic liquids
kirchners-manta/mqce-data
Collection of input files relevant to our paper on mQCE theory.
kirchners-manta/msdiff
Calculating diffusion coefficients and conductivities from MD simulations