adc-connect / adcc

adcc: Seamlessly connect your program to ADC
https://adc-connect.org
GNU General Public License v3.0
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Avoid multiple computation of ERI blocks for CVS calculations #107

Open maxscheurer opened 3 years ago

maxscheurer commented 3 years ago

Right now the computation of ERI blocks is pretty optimal for importing full ADC ERI blocks, but for CVS blocks are computed multiple times. E.g. o1v1v1v1 triggers a computation of OVVV in the host program, then this block is flushed and o2v1v1v1 will again trigger the computation of this block, followed by a flush. It would be good to compute such blocks in a batch to avoid this behaviour.