rashaw1 Goto Github PK
Type: User
rashaw1's Projects
cpnm_project
Numerical methods project, to do with overlap matrices, sparsity, and orthogonalisation.
devfiles
doitobib
Python module to convert DOIs to bibtex entries
drude
Drude oscillator stuff
fortran
Some really boring fortran exercises
geomconvert
A python utility to convert between Cartesian and Z-matrix geometries
linalg
A basic linear algebra library
mdpie
Parallel MD simulator for Lennard-Jones systems
molecular
Ab initio quantum chemistry routines
molecular2
Molecular 2.0 ab initio quantum chemistry program
tmdcs
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