MadisonB14

ORISE Research Fellow

USDA-ARSFort Collins, CO

Pinned Repositories

AMBER-EDA
A program for energy decomposition analysis of AMBER MD simulations.
Language:Fortran0 1 00
dev-LICHEM
Group development repo for LICHEM.
Language:C++0 2 00
geometry_analysis
A sample package for the MolSSI software summer school
Language:Python0 1 00
LICHEM
Language:C++0 1 00
mm_2019_sss_4
Language:Python0 1 00
molecool
A very cool molecular visualizer
Language:Python0 2 10
molssi_summer_school_day2
Practicing using git and git hub
Language:Jupyter Notebook0 1 00
msf_bootcamp
A sample repository for the MSF Bootcamp.
Language:Python0 2 00
periodic-table
A periodic table site
Language:JavaScript0 1 00
periodic-table-1
Language:JavaScript0 1 00

MadisonB14's Repositories

MadisonB14/AMBER-EDA
A program for energy decomposition analysis of AMBER MD simulations.
Language:Fortran0 1 00
MadisonB14/dev-LICHEM
Group development repo for LICHEM.
Language:C++0 2 00
MadisonB14/geometry_analysis
A sample package for the MolSSI software summer school
Language:Python0 1 00
MadisonB14/LICHEM
Language:C++0 1 00
MadisonB14/mm_2019_sss_4
Language:Python0 1 00
MadisonB14/molecool
A very cool molecular visualizer
Language:Python0 2 10
MadisonB14/molssi_summer_school_day2
Practicing using git and git hub
Language:Jupyter Notebook0 1 00
MadisonB14/msf_bootcamp
A sample repository for the MSF Bootcamp.
Language:Python0 2 00
MadisonB14/periodic-table
A periodic table site
Language:JavaScript0 1 00
MadisonB14/periodic-table-1
Language:JavaScript0 1 00
MadisonB14/thole-COM-LICHEM
User inputs COM of QM. Distances are calculated between all atoms to the COM to satisfy tau=e^(-ar^3). a is the value of thole. Every induced dipole component is then multiplied by tau.
MadisonB14/thole-LICHEM
Include thole damping when using dipoles.
Language:C++