Pinned Repositories
ascii_mol
Assorted scripts for obtaining ASCII encodings of Smiles and InChI representations of molecular compounds
CHEM494_interm_report_template
Template latex for writing a CHEM 494 interm report
DNN-SE
This projects goal is to replicate the algorithm and experiments defined in 10.1103/PhysRevResearch.2.033429
Pibronic
Python package which provides an implementation of a PIMC method that calculates thermodynamic properties of quantum mechanical systems described by vibronic models
spectra_scripts
Assorted scripts and code for generating ACF and spectra using MCTDH and/or VECC
t-amplitudes
Code base for VECC method
termfactory
Exploring a formal representation for the residual terms and/or cleaning up code of the residual equation generator
vmio
Assorted scripts and code for handling vibronic models and interfacing with MCTDH
ngraymon's Repositories
ngraymon/Pibronic
Python package which provides an implementation of a PIMC method that calculates thermodynamic properties of quantum mechanical systems described by vibronic models
ngraymon/DNN-SE
This projects goal is to replicate the algorithm and experiments defined in 10.1103/PhysRevResearch.2.033429
ngraymon/spectra_scripts
Assorted scripts and code for generating ACF and spectra using MCTDH and/or VECC
ngraymon/termfactory
Exploring a formal representation for the residual terms and/or cleaning up code of the residual equation generator
ngraymon/ascii_mol
Assorted scripts for obtaining ASCII encodings of Smiles and InChI representations of molecular compounds
ngraymon/CHEM494_interm_report_template
Template latex for writing a CHEM 494 interm report
ngraymon/t-amplitudes
Code base for VECC method
ngraymon/vmio
Assorted scripts and code for handling vibronic models and interfacing with MCTDH
ngraymon/494_dev
ngraymon/acesiii
Varous ACES III Developements
ngraymon/CHEM494_final_report_template
Template latex for writing a CHEM 494 final report
ngraymon/chummer5a
Character generator for Shadowrun 5th edition
ngraymon/example-python
Python coverage example
ngraymon/example-vulture
How to add vulture to CI tests
ngraymon/maude_syntax_highlight
Maude syntax highlighting for SublimeText 2/3
ngraymon/oh-my-zsh-ys-cluster-theme
Modified ys oh-my-zsh theme for usage with batch systems on clusters
ngraymon/package_control_channel
Default channel file for Package Control. Follow the directions at:
ngraymon/paper_latex_template
basic latex template for paper submission
ngraymon/pdaggerq
ngraymon/pycuda_lanczos
ngraymon/spaceship-prompt
:rocket::star: A Zsh prompt for Astronauts
ngraymon/VE-TFCC
Code base for TF-VECC method
ngraymon/VibronicToolkit.jl
Tools for vibronic Hamiltonians.