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cassandra2lmp

Code to convert .xyz to lammps topology

intro-python

Repositório de introdução ao Python.

mne2020

Repositório da disciplina Métodos Numéricos para Escoamentos em Nano e Micro Escalas, 2020

nanotube-tools

Tools to manipulate, create and work with nanotube simulations

pdb2lmp

Python 3 script to create a LAMMPS topology from a PDB file.

phd_joao_codes

Calculation of NMR T 2 Relaxation time from Molecular Dynamics Simulations

plotting-tools

Scripts used to data manipulation and plotting.

pore-cut

Code to cut a silica 3d material with a inner cylinder or two plates.

quantumcomputing

The Sampa group at USP's Institute of Physics studies electronic, structural, magnetic, and transport properties in nanostructured materials, focusing on quantum confinement effects in semiconductor nanowires, carbon and BN nanotubes, metallic wires, and chemically absorbed molecules on metallic surfaces, using ab initio calculations based on DFT.

scm2020

Repositório da disciplina Simulação Computacional dos Materiais, IFUSP, 2020

static

Static repository for files associated with published papers

taxila_docker

taxila_install_image

Scripts para instalar o taxila e criar imagens docker e apptainer (singularity)

thor

Comandos de instalação da workstation Thor

useful-hacks

Hacks & tricks from the group