andyras/propellor
easy-to-use model Hamiltonian propagation for electron transfer
Developer Profile
andyras
Discovered public repositories for andyras in the GitHub catalog.
andyras/dynamix-ga
run dynamix code using a genetic algorithm
andyras/SplitOp
Public repository.
andyras/pub-jcp-2014
data and code for "Theory of Ultrafast Photoinduced Electron Transfer from a Bulk Semiconductor to a Quantum Dot"
andyras/andyras.github.io
homepage
andyras/GAlib-mpi
MPI Implementation of GAlib (Genetic Algorithm Library written in C)
andyras/vim-fish
Vim support for editing fish scripts
andyras/nwgeo
parser for NWChem output, specifically to get geometries from an optimization
andyras/BigOCheatSheet
Public repository.
andyras/orient-molecule
Python script for command-line manipulation of molecules
andyras/dataloaf
Public repository.
andyras/libwb
Public repository.
andyras/bibtextract
Public repository.
andyras/nanogen
A coordinate generator for nanos
andyras/megaparseq
Q-Chem output parser
andyras/glue
Linked Data Visualizations Across Multiple Files
andyras/deterriblesquareipy
Public repository.
andyras/pushmi-pullyu
simplified scp between andy's hosts
andyras/vdw
computes some van der Waals properties of .cube file output from electronic structure
andyras/times
Multiplies a data file by a constant
andyras/deterriblesquareify
A MATLAB program to fix TEM images where one square is not color-matched to the others.
andyras/transpose
A utility for transposing matrices stored as text.
andyras/fft
FFT code for command-line data processing
andyras/hoagie
Andy's general queue submission script
andyras/dynamix
Public repository.