Sharc code
Webb11 apr. 2024 · Cache of 21569. Binge on Apr 11, 2024. Hi, ADI example code are all based on DMA.I want to know how to config 21569 to using cache automatically?could you please give me corresponding example?. I mean let the core automatically using I-cache,D-cache,P-cache while it is running. Best regards, Binge. Webb24 apr. 2024 · So to be clear, previously I was using grad_select. But with CASPT2 I should instead use grad_all. I will give that a try with the unedited SHARC_MOLCAS.py code. OK, I will test out different active space sizes and/or the number of states in state averaging.
Sharc code
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