quemb.shared.helperΒΆ
Functions
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Add a docstring to a function as decorator. |
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Add a sensible docstring to the __init__ method of an attrs class |
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We assume that M is a (not necessarily square) overlap matrix between ortho-normal vectors. |
Copy docstring from another function as decorator. |
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This function can be used instead of |
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Return the sum \(\sum_{i=1}^n i\) |
Do stack inspection shenanigan to obtain the name of the calling function |
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Return the number of unique ERIs but allowing different number of orbitals. |
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Decorator to make a class jit-able. |
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The number if symmetry-equivalent pairs i <= j, for i <= n and j <= n |
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Type-safe jit wrapper that caches the compiled function |
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Flatten the index a, b assuming row-mayor/C indexing |
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Flatten the index a, b assuming column-mayor/Fortran indexing |
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Return compound index given four indices using Yoshimine sort and assuming 8-fold permutational symmetry |
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Flatten the index a, b assuming symmetry. |
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Return the number of unique elements in a symmetric matrix of different row and column length |
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Merge multiple sequences into a single |
Invert |
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Classes
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Simple class to time code execution |