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Speed up LCAO (PW and FD initializations and otherwise). Closes #1105

Mikael Kuisma requested to merge speed-up-lcao into master
  • Calculate the real space displacement potential energy matrix only once per each spin-channel on the core

Previously, on spin polarized systems, the potential matrix was calculated every k-point, even it was necessary only once per spin channel. Speeds up test case from 226 sec to 3 sec only.

Edited by Mikael Kuisma

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