Cisneros Research Group

Denton, TX

Pinned Repositories

AMBER-EDA
A program for energy decomposition analysis of AMBER MD simulations.
Language:Fortran4 1 02
cisnerosresearch.github.io
Redirect for the group documentation
Language:HTML00
docs
Documentation/Tutorials for the Cisneros Research Group.
Language:CSS0 1 00
GEM_fit
Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.
Language:Fortran1 1 14
LICHEM
This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is also present for standard point-charge based force fields, pure MM, and pure QM calculations.
Language:C++12 2 111
Psi4
GEM implementation in Psi4
Language:Makefile0 1 00
Tinker-HP
GEM implementation in Tinker-HP
Language:Roff0 1 00

CisnerosResearch/LICHEM
This package is an open-source (GPLv3) interface between QM and MM software so that QM/MM calculations can be performed with polarizable and frozen electron density force fields. Functionality is also present for standard point-charge based force fields, pure MM, and pure QM calculations.
Language:C++12 2 111
CisnerosResearch/AMBER-EDA
A program for energy decomposition analysis of AMBER MD simulations.
Language:Fortran4 1 02
CisnerosResearch/GEM_fit
Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.
Language:Fortran1 1 14
CisnerosResearch/cisnerosresearch.github.io
Redirect for the group documentation
Language:HTML00
CisnerosResearch/docs
Documentation/Tutorials for the Cisneros Research Group.
Language:CSS0 1 00
CisnerosResearch/Psi4
GEM implementation in Psi4
Language:Makefile0 1 00
CisnerosResearch/Tinker-HP
GEM implementation in Tinker-HP
Language:Roff0 1 00