A modification to the Custodian class in custodian (github.com/materialsproject/custodian) to allow for copying the temp_dir to other compute nodes via ssh.
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May 26, 2016 - Python
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computational-science
Here are 57 public repositories matching this topic...
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May 5, 2017 - Python
This repository holds my experiments from the Foundations of Computer Science class where we study the theory of computation
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Feb 26, 2018 - Python
Homework for CDS230. problems in ch 11, 12 from Python Data and Computations in the book, Computational Methods for Bioinformatics: Python 3.4, Third Edition by Jason Kinser.
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Apr 1, 2018 - Python
Course on computational algorithms, which includes integration, differentiation, interpolation and extrapolation.
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May 26, 2018 - Python
ReScience C published articles
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Oct 26, 2018 - Python
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May 10, 2019 - Python
A tool for building crystal lattice models with distance-dependent neighbor interactions.
python ising-model heisenberg-model magnetism lattice materials-science computational-science neighbors neighbor-count condensed-matter-physics
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Jun 25, 2019 - Python
A Second ODE Solver using Euler, Euler-Cromer, and Verlet Method
ordinary-differential-equations computational-science euler-method euler-cromer verlet second-order-differential-equations
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Nov 15, 2019 - Python
Collection of AiiDA WorkChains for Material Discovery Studies
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May 21, 2020 - Python
This program Solves Poisson 2D equation using Finite element method.
numpy linear-algebra python3 mechanical-engineering matplotlib applied-mathematics numerical-methods finite-element-analysis computational-science poisson mathematical-modelling numerical-simulations equation-solver 2d poisson-equation finite-element-methods pde-solver pde-equations applied-math poisson2d
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Oct 1, 2020 - Python
An introduction to computer science as a tool to solve real-world analytical problems using Python 3.5.
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Oct 21, 2020 - Python
Solutions to the complete set of assignment problems which I did while crediting Computational Physics course by Prof. Manish Jain at IISc, Physical Sciences department on 2019
python physics computation computational-physics python-3 assignment-problem computational-science assignments
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May 30, 2021 - Python
Configure pipelines of computations for conducting experiments and deployment
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Jul 27, 2021 - Python
AM-SURE Summer Research at NYU Courant. Faster Solver for Multiple Linear Systems via Block Conjugate Gradients
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Sep 18, 2021 - Python
Utilities for manipulation/translation of input/output formats of quantum-mechanics based electronic structure codes
python bash irc molecular-structures python3 computational-chemistry molecular-simulation computational-science xyz atoms-in-molecules g09 qtaim energy-surface
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Sep 22, 2021 - Python
Compute Eigenvalues Efficiently
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Mar 20, 2022 - Python
UCSD Bioinformatics on Coursera
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Apr 18, 2022 - Python
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