Refactor hessian implementation #417
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Codecov Report
@@ Coverage Diff @@
## master #417 +/- ##
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+ Coverage 40.56% 40.74% +0.17%
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Files 301 304 +3
Lines 50799 50808 +9
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+ Hits 20606 20700 +94
+ Misses 30193 30108 -85
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- Intel 17 ICEs on the orphaned OMP construct, Intel 18 is fine
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ifortsometimes screws up in the compilation process and produces fault code for the hessian module, which is usually fixed by recompiling the source again. Issues tend to disappear if you look more detailed into this part of the code, which make it hard to pin down.Since we want to avoid arcane compiling rituals for
xtb, this PR tries to improve the stability of the hessian module by separating the implementation in smaller logical units.