GitHub topics: order-parameters
Ladme/gorder
Calculate lipid order parameters from Gromacs simulations
Language: Rust - Size: 333 MB - Last synced at: 11 days ago - Pushed at: 11 days ago - Stars: 4 - Forks: 0
killiansheriff/WarrenCowleyParameters
OVITO Python modifier to compute the Warren-Cowley parameters.
Language: Python - Size: 1.24 MB - Last synced at: 15 days ago - Pushed at: 3 months ago - Stars: 29 - Forks: 9
killiansheriff/AtomisticReverseMonteCarlo
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
Language: Python - Size: 10.8 MB - Last synced at: 3 days ago - Pushed at: 5 months ago - Stars: 24 - Forks: 3
pyscal/pyscal
Python library written in C++ for calculation of local atomic structural environment
Language: C++ - Size: 13.1 MB - Last synced at: 2 days ago - Pushed at: 10 months ago - Stars: 61 - Forks: 16
ipudu/order
:potable_water: A tool to characterize the local structure of liquid water by geometric order parameters.
Language: Python - Size: 19.2 MB - Last synced at: 6 days ago - Pushed at: 11 months ago - Stars: 14 - Forks: 9
SalmanFarizN/pybdynamics
Python package for simulation and data analysis of interacting colloidal particle systems.
Language: Python - Size: 74.2 KB - Last synced at: about 1 month ago - Pushed at: 6 months ago - Stars: 0 - Forks: 0
patrickfuchs/buildH
:computer: Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
Language: Python - Size: 27.5 MB - Last synced at: 2 days ago - Pushed at: over 2 years ago - Stars: 14 - Forks: 7
shoubhikraj/water-order
A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.
Language: C++ - Size: 45 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 1 - Forks: 0
patrickfuchs/autoLipMap
:computer: Automatic lipid mapping topology writer
Language: Python - Size: 354 KB - Last synced at: almost 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 1
markovmodel/PySFD
Language: Python - Size: 119 MB - Last synced at: about 1 month ago - Pushed at: almost 5 years ago - Stars: 5 - Forks: 6
