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by beautywu
Tue Jul 09, 2019 3:20 am
Forum: General forum
Topic: Parallel simulation of EPR spectra based on ORCA calculation
Replies: 1
Views: 1828

Parallel simulation of EPR spectra based on ORCA calculation

Hi, I have read ORCA calculation results of EPR/NMR by using easyspin and tried to turn on parallel computing to simulate EPR spectra in matlab. Among them, the refer of parallel computing is in http://easyspin.org/forum/viewtopic.php?f=3&t=362&p=1172&hilit=Parallel#p1172 Unfortunately, ...