The ReScience journal. Reproducible Science is Good. Replicated Science is better.
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Updated
Jul 22, 2020
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The ReScience journal. Reproducible Science is Good. Replicated Science is better.
Lightweight, general, scalable C++ library for finite element methods
SimTK OpenSim C++ libraries and command-line applications, and Java/Python wrapping.
Lightweight OpenGL tool for accurate and flexible finite element visualization
awesome open list of pointers about open science for software and computational science
In the file defining the Alkene functional group (stk.molecular.functional_groups.alkene.py), lines 103 and 116 return self.atom1 and self.atom2.
atom1 and atom2 do not exist.
Should be return self._atom1 and return self._atom2.
This issue is not picked up with the current tests so suggests a need to see if each atom can be retrieved successfully ( get_carbon1 etc.) for each fu
Main repository for sharing files and documents about OpenDreamKit
Paper Reading
A publicly-editable collection of open science resources, including tools, datasets, meta-resources, etc.
High Performance Computing Strategies for Boundary Value Problems
Python for Engineers
Examples and demos for ReproZip
A software framework of conservation-law solvers that use the space-time Conservation Element and Solution Element (CESE) method.
Notebook tutorials
Some python workbooks with various topics from Computational Physics
Summary notes for FIT3139 — Introduction to Computational Science
Demystify the undocumented Quantum ESPRESSO input/output
Article template (latex and metadata)
The ∇ numerical-analysis DSL improves productivity and enables new algorithmic developments for the construction of hierarchical HPC scientific applications.
Alpheus: A tool for organizing and managing computational experiments
A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.
Supplementary material for book on scientific computing
Solutions for Computation Methods for Science and Technology 2 assignment, written in C, Julia and R
This program Solves Poisson 2D equation using Finite element method.
A tool for building crystal lattice models with distance-dependent neighbor interactions.
A library for parsing and handling Fluent "case" files intended for computational fluid dynamics (CFD) simulations.
Artificial Life Simulation of Bacteria Motion depending on DNA
Minimal working examples applying Finite Element Method with Firedrake framework
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https://github.com/kislyuk/argcomplete allows for easy integration with bash auto-completion.