CrawfordGroup

Pinned Repositories

CCReorganization
Language:C++1 3 13
ccsd_lpno
Repo for Psi4Numpy CCSD-LPNO Response property script
Language:Jupyter Notebook5 1 01
efpGamessPsi4
Language:Jupyter Notebook1 4 01
lml
Learning Machine Learning
Language:Jupyter Notebook14 3 129
Mixed-precision-CCSD
Modified CCSD python code with mixed-precision
Language:Python1 2 02
MLQM
Machine-learning quantum mechanics
Language:Python9 1 34
ODE
Integrators for differential equations (work in progress)
Language:Python1 2 01
ProgrammingProjects
C++ Programming Tutorial in Chemistry
396 22 12132
pycc
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
Language:Python42 2 915
ugacc
PSI4 plugin for testing simple CC codes based on unitary-group formulation.
Language:C++2 4 02

CrawfordGroup's Repositories

CrawfordGroup/ProgrammingProjects
C++ Programming Tutorial in Chemistry
396 22 12132
CrawfordGroup/pycc
PyCC is a simple, Python-based, reference implementation of the coupled cluster method of ab initio quantum chemistry.
Language:Python42 2 915
CrawfordGroup/lml
Learning Machine Learning
Language:Jupyter Notebook14 3 129
CrawfordGroup/MLQM
Machine-learning quantum mechanics
Language:Python9 1 34
CrawfordGroup/ccsd_lpno
Repo for Psi4Numpy CCSD-LPNO Response property script
Language:Jupyter Notebook5 1 01
CrawfordGroup/ugacc
PSI4 plugin for testing simple CC codes based on unitary-group formulation.
Language:C++2 4 02
CrawfordGroup/CCReorganization
Language:C++1 3 13
CrawfordGroup/efpGamessPsi4
Language:Jupyter Notebook1 4 01
CrawfordGroup/Mixed-precision-CCSD
Modified CCSD python code with mixed-precision
Language:Python1 2 02
CrawfordGroup/ODE
Integrators for differential equations (work in progress)
Language:Python1 2 01
CrawfordGroup/MagPy
Language:Python0 1 02
CrawfordGroup/CCSD-hyperpolarizabilities
Language:Python1 01
CrawfordGroup/Conformer_Generators
Bash scripts for generating conformations including through MD trajectories and OpenBabel.
Language:Jupyter Notebook0 0
CrawfordGroup/eventre-hugo
Eventre-hugo website theme
Language:SCSS1 1
CrawfordGroup/HubOfKnowledge
Language:Perl3 01
CrawfordGroup/mqm2022
Molecular Quantum Mechanics 2022 Website
Language:HTML1 0
CrawfordGroup/n_body
Testing the n_body plugin code. Work in progress.
Language:Jupyter Notebook1 202
CrawfordGroup/panache
Language:FORTRAN3 0
CrawfordGroup/Papers
Latex files for articles
Language:TeX3 0
CrawfordGroup/python_code_to_check_C
Language:Python2 01
CrawfordGroup/reDPD
Coming Fall 2017: DPD returns -- This Time It's Personal.
Language:C2 01
CrawfordGroup/SoAPy
Package for simulating ROA and VCD spectra from explicit solvation protocols with geometries obtained from molecular dynamics trajectories. SOlvation Algorithm in Python (SoAPy).
Language:Arc0 03
CrawfordGroup/ugacc_python
Language:Python3 0