- 10 Jun, 2016 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: The output for valenceDensity, valenceCharges, and allElectronCharges is preliminary. It does not look nice in out.xml. The date should be collected in the routines to enable a nicer output at a different place.
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Daniel Wortmann authored
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- 09 Jun, 2016 1 commit
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Gregor Michalicek authored
Also in this commit: small bug fixes for core states output and introduction of valenceDensity hierarchy layer in out.xml.
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- 13 May, 2016 1 commit
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Gustav Bihlmayer authored
from stden (t) and cdngen (f) to allow calculating starting densities for atoms without core states.
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- 26 Apr, 2016 1 commit
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Markus Betzinger authored
Based on v0.26 hybrid branch
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