addschile/dotfiles

Language: Shell - Size: 37.1 KB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0

addschile/pymctdh

python code to perform Multiconfigurational Time-Dependent Hartree calculations

Language: Python - Size: 11.4 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 1

addschile/KrylovLib

a templated library to implement Krylov subspace methods for numerical linear algebra

Language: C++ - Size: 11.7 KB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 0

addschile/bite_size

bite size examples of C++ stuff

Language: C++ - Size: 28.3 KB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 0 - Forks: 0

addschile/SparseLinearAlgebra

Language: C++ - Size: 16.6 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

addschile/advent_of_code_2021

Language: Rust - Size: 7.81 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

addschile/ToyModelsMD.jl

julia code to simulate a simple molecular dynamics models

Language: Julia - Size: 34 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

addschile/IsingModels.jl

julia code to perform ising model simulations

Language: Julia - Size: 846 KB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 0 - Forks: 0

addschile/qdynos

Small python package to run quantum dynamics of open and closed systems

Language: Python - Size: 2.44 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 1 - Forks: 0

addschile/openmm-torch Fork of openmm/openmm-torch

OpenMM plugin to define forces with neural networks

Size: 106 KB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0

addschile/openmm Fork of openmm/openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Size: 114 MB - Last synced at: over 2 years ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0

addschile/propdb

A small program to perform diabatization using Gaussian Process Regression.

Language: Python - Size: 128 KB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0

addschile/qtps

Example of performing a quantum transition path sampling calculation using qdynos

Language: Python - Size: 1.41 MB - Last synced at: over 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0