ATOMS: Applied Thermodynamics and Molecular Simulation
Software Development at the ATOMS Research Group, Rio de Janeiro, Brasil
Rio de Janeiro, Brazil
Pinned Repositories
atoms_site
ATOMS Web Site
atomsmm
AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil
EmDee
EmDee: A Molecular Dynamics Laboratory
fix_hmc
A new LAMMPS fix style designed for Hybrid Monte Carlo simulations
fortrix
A Fortran module for the definition and GPU-based evaluation of Matrix/Vector operations
julia
The Julia Language: A fresh approach to technical computing.
playmol
Playmol is a(nother) software for building molecular models
polybuild
Dispersed polymer configurations for Molecular Dynamics
postlammps
A tool for performing post-processing of lammps log files
USER-ATOMS
A LAMMPS user package developed at ATOMS/UFRJ
ATOMS: Applied Thermodynamics and Molecular Simulation's Repositories
atoms-ufrj/playmol
Playmol is a(nother) software for building molecular models
atoms-ufrj/postlammps
A tool for performing post-processing of lammps log files
atoms-ufrj/atomsmm
AtomsMM is an OpenMM customization for the ATOMS group at UFRJ/Brazil
atoms-ufrj/fortrix
A Fortran module for the definition and GPU-based evaluation of Matrix/Vector operations
atoms-ufrj/polybuild
Dispersed polymer configurations for Molecular Dynamics
atoms-ufrj/EmDee
EmDee: A Molecular Dynamics Laboratory
atoms-ufrj/fix_hmc
A new LAMMPS fix style designed for Hybrid Monte Carlo simulations
atoms-ufrj/atoms_site
ATOMS Web Site
atoms-ufrj/USER-ATOMS
A LAMMPS user package developed at ATOMS/UFRJ
atoms-ufrj/atomsmm_examples
Example Scripts using AtomsMM
atoms-ufrj/julia
The Julia Language: A fresh approach to technical computing.
atoms-ufrj/NBLists
A Neighbor List Handler for Molecular Simulation
atoms-ufrj/PSCP-article-2023
Additional information about the article "Revisiting the Pseudo-supercritical path Method: An Improved Formulation for the Alchemical Calculation of Solid-Liquid Coexistence"
atoms-ufrj/jctc-lbf-paper
Additional information about the manuscript "A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies".
atoms-ufrj/atomsmm-lib
Shared Libraries for AtomsMM
atoms-ufrj/auxerre
Transport Properties from Molecular Dynamics Using Reciprocal-Space Correlation Analysis
atoms-ufrj/CHCL-article-2024
atoms-ufrj/CoolProp
Thermophysical properties for the masses
atoms-ufrj/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
atoms-ufrj/packmol
Packmol
atoms-ufrj/usefulscripts
Some useful shell scripts for academic writing and programming
atoms-ufrj/USER-ALCHEMICAL
A LAMMPS user package for alchemical free-energy calculations