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Fixes three errors obtained by valgrind+verrou - round2
Description
Fixes three errors obtained by valgrind+verrou - round2
This contains :
- a fix to avoid overflows, introduced in the previous merge request
- a fix for CG energy difference, which was computed from the new eigenenergy and not the old one
- a fix for 1D-0D FFT kernel which switched between two branching using an exact floating point comparison.
News snippet
Further small bugfixes related to numerical instabilities
Checklist
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I have checked that my code follows the Octopus coding standards
Edited by Nicolas Tancogne-Dejean