Pinned Repositories
atomic-parameters
Calculate the parameters of atomic configurations using Cowan's codes
comparison-of-multiplet-programs
Comparison of spectra calculated using different multiplet programs
crispy
Core-Level Spectroscopy Simulations in Python
crispy-pan-learning
Notebooks for running multiplet calculations on pan-learning.org
diffeq
Differential Equations
dockerfile-x11
Docker image which provides X11 support via HTML5 VNC
Lipid14toGromacs
mretegan's Repositories
mretegan/crispy
Core-Level Spectroscopy Simulations in Python
mretegan/comparison-of-multiplet-programs
Comparison of spectra calculated using different multiplet programs
mretegan/atomic-parameters
Calculate the parameters of atomic configurations using Cowan's codes
mretegan/dockerfile-x11
Docker image which provides X11 support via HTML5 VNC
mretegan/Lipid14toGromacs
mretegan/silx
silx toolkit
mretegan/crispy-pan-learning
Notebooks for running multiplet calculations on pan-learning.org
mretegan/diffeq
Differential Equations
mretegan/dockerfile-base
Base docker image for other images
mretegan/dockerfile-crispy
Docker image for Crispy
mretegan/GAFFLipids2Gromacs
mretegan/mretegan.github.io
Personal website
mretegan/ndim
:books: Compute multidimensional volumes and monomial integrals.
mretegan/nexus_definitions
Definitions of the NeXus Standard File Structure and Contents
mretegan/orthopy
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
mretegan/panosc-summerschool-2022
Content repo for the 2022 PaNOSC summerschool in Szeged
mretegan/quadpy
:triangular_ruler: Numerical integration (quadrature, cubature) in Python
mretegan/silx-training
training for the silx toolkit
mretegan/thylakoid
Thylakoid membrane force field parameters and coordinates