Hashan Peiris's repositories
Hashan-Peiris.github.io
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JAX-ReaxFF
JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields
Molecule-Shifter-Stretcher
Shifting structures vertically and stretching molecules proportionately.
Trajectory-Analysis
These codes are being used to analyze the AIMD/CMD trajectories stored in the .xyz format.
Language:Jupyter NotebookMIT000
maise
MAISE Module for Ab Initio Structure Evolution (MAISE)
Language:CGPL-3.0000
chargemol
2017-09-26 Linux source.
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galore
Gaussian and Lorentzian smearing of simulated spectra
Language:PythonGPL-3.0000
jekyll-uno-timeline
A Jekyll Theme, based on the Uno-Theme with some adjustments.
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sod
Site-Occupation Disorder
GPL-3.0000
WhatATheme
A customizable Jekyll Portfolio theme which supports blogging.
Language:HTMLGPL-2.0000