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F̶i̶r̶s̶t̶ Second Year Computational Materials Modelling DPhil Student
@UniOfOxford
Highlights
- Pro
Pinned Loading
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sim_eval
sim_eval PublicA (tiny) wrapper around ASE calculators to speed up analyzing and comparing the accuracy of different molecular dynamics simulation methods.
Python
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DiffusionAnalysis
DiffusionAnalysis PublicA python package to analyse diffusive properties of an MD simulation.
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ArduinoAD8232ECG
ArduinoAD8232ECG PublicAn open source arduino heart rate monitor based on the AD8232 with a graphical interface written in python.
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thunderlamp
thunderlamp PublicA simple Arduino controlled LED lamp. Led's dispersed throughout the model can flash to simulate lightning
C++
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Rewrite of the ase LAMMPS dat file p...
Rewrite of the ase LAMMPS dat file parser to yield 50-100x speedup and properly implement lazy loading and indexing 1# All rights for ase belong to the owners at https://gitlab.com/ase/ase
2# this is a partial rewrite of the original lammpsrun.py found at:
3# https://gitlab.com/ase/ase/-/blob/master/ase/io/lammpsrun.py?ref_type=heads
4# Modifcations made by Chris Davies. See ase merge request
5# https://gitlab.com/ase/ase/-/merge_requests/3354
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