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atomec-project / atoMEC

Python-based average-atom code for simulations of high energy density phenomena such as in warm dense matter.
https://atomec-project.github.io/atoMEC/
BSD 3-Clause "New" or "Revised" License
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Fix error in ELF integration #148

Closed timcallow closed 2 years ago

timcallow commented 2 years ago

The sum of the electron numbers in each shell should equal the total electron number.

Previously, the integral which gives the sum in each shell was not correctly taking into account the end-points, resulting in a slight error in the total electron number. This is now fixed.