sumner-group Goto Github PK
Name: Sumner Group
Type: User
Blog: https://www.jmu.edu/chemistry/people/all-people/faculty/sumner-isaiah.shtml
Sumner Group's Projects
cfour-parallel-anharm-scripts
Scripts for running parallel anharmonic calculations using the Slurm/Torque workload managers
dijkstra-water-wire
C++ program to find water wires linking a proton donor to acceptor in an MD simulation
find-cycles
Python/Jupyter Notebook code that utilizes the NetworkX package to locate cyclic structures within an MD simulation
fixman_2018-day8
fixman_2018-day9
gaussian-external-cfour
Script to couple CFOUR with Gaussian via the "External" keyword
hello-world
Just following orders
sd-qhd
C++ code to compute electron trajectories in molecular orbitals using spin-dependent quantum hydrodynamics
sumner-group.github.io
velocityverlet_vs_euler
This is a Jupyter Notebook to illustrate the difference between the Velocity-Verlet and Euler methods for integrating classical equations of motion for a homonuclear diatomic molecule.
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