killiansheriff/WarrenCowleyParameters

OVITO Python modifier to compute the Warren-Cowley parameters.

Language: Python - Size: 1.24 MB - Last synced: 13 days ago - Pushed: 13 days ago - Stars: 17 - Forks: 5

killiansheriff/AtomisticReverseMonteCarlo

OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

Language: Python - Size: 10.8 MB - Last synced: 2 days ago - Pushed: 6 months ago - Stars: 18 - Forks: 2

pyscal/pyscal

Python library written in C++ for calculation of local atomic structural environment

Language: C++ - Size: 13.1 MB - Last synced: 30 days ago - Pushed: 4 months ago - Stars: 56 - 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: 24 days ago - Pushed: almost 6 years ago - Stars: 11 - Forks: 8

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: 18 days ago - Pushed: over 1 year ago - Stars: 14 - Forks: 6

markovmodel/PySFD

Language: Python - Size: 119 MB - Last synced: 7 months ago - Pushed: almost 4 years ago - Stars: 5 - Forks: 5

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: 4 months ago - Pushed: over 2 years ago - Stars: 1 - Forks: 0

patrickfuchs/autoLipMap

:computer: Automatic lipid mapping topology writer

Language: Python - Size: 354 KB - Last synced: 9 months ago - Pushed: about 2 years ago - Stars: 0 - Forks: 1