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shivupa / polyquant

Multiple quantum particles
MIT License
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Integral printing #104

Closed shivupa closed 2 years ago

shivupa commented 2 years ago

Clean up the printing during the integral calculations. For example

Calculating One Body Overlap Integrals...
Computing on 12 threads.
Making more engines for each thread
Calculating One Body Overlap Integrals...
Computing on 12 threads.
Making more engines for each thread
Timer void polyquant::POLYQUANT_INTEGRAL::calculate_overlap()    0d:0h:0m:0s:2ms:602us:308ns    Current Memory usage:   0 TB   6 GB 612 MB 120 KB   0  B free:   0 TB  32 GB 792 MB 556 KB   0  B

when there are multiple basis sets the printing is done for each basis.