bjmorgan/onetep_utilities
Public repository.
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bjmorgan
Discovered public repositories for bjmorgan in the GitHub catalog.
bjmorgan/strain
Calculates atom localised strain tensors using the approach of Falk and Langer - Phys Rev E 57, 7192 (1998)
bjmorgan/rotate_poscar
Rotates the coordinates for a VASP POSCAR
bjmorgan/tetrahedrality
Statistics for how "tetrahedral" the coordination environment around ions are
bjmorgan/diffcount
Counts diffusion events in a simulation of a close-packed solid
bjmorgan/interpolate_poscar
Interpolates the coordinates in two VASP POSCAR files
bjmorgan/parsedoscar
Generates atom and site projected densities of states from a VASP DOSCAR
bjmorgan/getmsd
scripts for msd analysis
bjmorgan/msdcon
Mean-Squared-Displacements from Molecular Dynamics trajectories
bjmorgan/graph-opt
force-directed optimisation of a 3D-periodic graph
bjmorgan/neb-pimaim
Nudged Elastic Band implementation that uses the PIMAIM molecular dynamics code for evaluating image forces
bjmorgan/Snippets
Public repository.
bjmorgan/pdf_context
After performing a Spotlight search for pdfs, finds a string in those pdfs and prints the extract in context (set number of words before and after the search string). Currently outputs in a (bad) Markdown syntax, and includes links to the matched files. Inspired by http://bengoldacre.posterous.com/investigative-journalism-tools-id-like-and-ma
bjmorgan/Scripts
FastScript scripts
bjmorgan/MD-utilities
Analysis code for pimaim MD code
bjmorgan/VASP-Utilities
A collection of command line utilities for manipulating VASP input / outpu
bjmorgan/open-transmit-here-rb-appscript
rb-appscript designed to run as a OS X service to jump from a remote directory in Terminal to the same directory in a new Transmit window