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theochem / grid

Python library for numerical integration, interpolation, and differentiation on (molecular) grids.
https://grid.qcdevs.org/
GNU Lesser General Public License v3.0
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Add global cache_dict to store loaded npz file #67 #123

Closed tczorro closed 3 years ago

tczorro commented 3 years ago
  1. Add cache to lebedev grid incase repetitive I/O
  2. Add cache contents test
  3. Remove redundant cache in atomic level
codecov[bot] commented 3 years ago

Codecov Report

Merging #123 (8e2f08f) into master (e8b473c) will not change coverage. The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff            @@
##            master      #123   +/-   ##
=========================================
  Coverage   100.00%   100.00%           
=========================================
  Files           14        14           
  Lines         1373      1385   +12     
=========================================
+ Hits          1373      1385   +12
Impacted Files Coverage Δ
src/grid/atomgrid.py 100.00% <100.00%> (ø)
src/grid/lebedev.py 100.00% <100.00%> (ø)
src/grid/becke.py 100.00% <0.00%> (ø)
src/grid/utils.py 100.00% <0.00%> (ø)

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tczorro commented 3 years ago

Those commented are supposed to be deleted. I will try put the cache_dict inside lebedev