TDDFT introduced bug with out-files
Bug #1640310 reported by
Nick Papior
This bug affects 1 person
Affects | Status | Importance | Assigned to | Milestone | ||
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Siesta | Status tracked in Trunk | |||||
Trunk |
Fix Released
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Critical
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Nick Papior |
Bug Description
The TDDFT code introduced writing the TDDFT dTDDFT rho, but the routines for doing this was making the filesout variable empty with intent(out).
Thus, any user-defined saved quantities would be overwritten by this fact:
see line: 1050 in dhscf.F
information type: | Private → Public |
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Basically no Save*Grid options was in effect.
The attached patch fixes this.