Computational Science
Stefano Borini
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32
Performance differences between ATLAS and MKL?
Dec 3 '11
26
What makes Fortran fast?
Dec 3 '11
16
What is counterpoise correction?
Nov 29 '11
14
Is Hartree-Fock always a good approximation for molecular geometries and no bond breaking ?
Nov 29 '11
11
Limitations of Density Functional Theory as a computational method?
Dec 29 '11
10
What does it mean for a basis set to be "correlation consistent" ?
Nov 29 '11
8
How to choose a basis set for ab-initio evaluations ?
Nov 29 '11
8
Is it worthwhile to write unit tests for scientific research codes?
Dec 3 '11
7
What is the difference between Coupled Cluster SD and SD(T)?
Nov 29 '11
6
Where can I find a database of simple chemical structures in XYZ format?
Dec 6 '11
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2981
"Least Astonishment" and the Mutable Default Argument
1406
Syntax for a single-line while loop in Bash
483
Reimport a module in python while interactive
218
prototype based vs. class based inheritance
199
"Too many values to unpack" Exception

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