Computational Science
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Tyberius
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Developer of the Jaguar electronic structure program at Schrodinger.

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7
Converting distance matrix back into original data
Jan 15, 2022
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5
Maximize a function of an orthogonal matrix
Sep 12, 2019
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3
Forming a particular (averaged) block matrix with numpy
May 9, 2021
answer
3
integrate.solve_ivp bugged
Mar 31, 2020
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3
Compute $tr(A^TBC)$ in Python
Oct 30, 2020
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3
In a random walk simulation, how do I get the mean and standard deviation of how many times the walk returns to the origin?
May 10, 2021
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3
Fitting using curve_fit of scipy in python gives totally different answer for 1/t and t
Jun 19, 2021
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2
SciPy odeint giving different results with matrix multiplication
Nov 19, 2021
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2
solve_ivp doesn't work with toms748
Nov 20, 2021
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2
How to solve a BVP with known parameters?
Dec 12, 2021
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Is it true that heavy water is not blue?
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What is the closest thing we have to "the" universal density functional?
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What makes the Cauchy principal value the "correct" value for a integral?

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