global · bede872b83bdc71e5e19fc1caee3f1bdc6c7a247 · fleur / fleur · GitLab

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Fix for the determination of LOs. Zn was given a "2-d" LO, which created an infinite loop. · 31c2a140
Daniel Wortmann authored Jun 20, 2018
```
Changed the defaults in atom_input.f and added some timers&stops to prevent this in future.
```
31c2a140

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CMakeLists.txt		Loading commit data...
abcrot.f		Loading commit data...
checkdop.F90		Loading commit data...
checkdopall.f90		Loading commit data...
chkmt.f90		Loading commit data...
constants.f90		Loading commit data...
convn.f90		Loading commit data...
differ.f		Loading commit data...
enpara.f90		Loading commit data...
find_enpara.f90		Loading commit data...
fitchk.f		Loading commit data...
genMTBasis.f90		Loading commit data...
nmat_rot.f		Loading commit data...
nvtx.F90		Loading commit data...
od_cylbes.f		Loading commit data...
od_phasy.f		Loading commit data...
phasy1.f90		Loading commit data...
qfix.f90		Loading commit data...
radflo.F90		Loading commit data...
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radsrd.F		Loading commit data...
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savewigner.f		Loading commit data...
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types.F90		Loading commit data...
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