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Tasks
1 write a file pyscf-ipu/utils/visualize_numerics.py and import this into nanoDFT.py to be run if the user specifies --visualize_numerics True (don't change code in density_functional_theory.py
2 the above visualization defaults to run in float64. we want a mode which runs in float64 and float32 and (?somehow?) visualizes the difference between the two runs.
The text was updated successfully, but these errors were encountered:
The following lines of code construct the following visualization of numerics during a DFT calculation.
Line 1181
Line 137
Tasks
1 write a file
pyscf-ipu/utils/visualize_numerics.py
and import this intonanoDFT.py
to be run if the user specifies--visualize_numerics True
(don't change code indensity_functional_theory.py
2 the above visualization defaults to run in float64. we want a mode which runs in float64 and float32 and (?somehow?) visualizes the difference between the two runs.
The text was updated successfully, but these errors were encountered: