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by qian
Tue Nov 10, 2020 9:23 pm
Forum: eOn
Topic: Question about running eOn with external potential
Replies: 1
Views: 2642

Question about running eOn with external potential

Hi, I am trying to run eOn with ext_pot as the option for potential. l used the binary ‘ext_pot’ to call cp2k to calculate the energy and forces. But it seems to be extremely slow. I tested on the pt system using the example in akmc-pt. With the build-in morse_pt potential, it only took ~5 seconds f...