- 24 Feb, 2017 1 commit
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Gregor Michalicek authored
Note: This functionality is not yet feature complete and only basic usage has been tested. The cdn.hdf file will still change.
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- 13 Feb, 2017 1 commit
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Daniel Wortmann authored
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- 10 Feb, 2017 1 commit
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Gregor Michalicek authored
Now the attribute minDistance is read in from the input file into the variable input%minDistance. By default this variable is 0.0 but it can be set to finite values in the inp.xml file. It is supposed to be an additional optional convergence criterion to stop calculations when they are converged.
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- 27 Jan, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
Note: There is a change in this commit that may or may not fix or produce a bug that might be there or not: The rhc array in the subroutine signature of cored was missing the spin dimension that it has in cdngen. This is now corrected and the array is now correctly filled in cored. It is unclear if this changes the behavior of the code at some place. It might have an effect in cdnovlp as this array also goes there.
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- 26 Jan, 2017 1 commit
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Gregor Michalicek authored
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- 24 Jan, 2017 1 commit
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Gregor Michalicek authored
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- 23 Jan, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
The numbering scheme of the old densities changed. It now represents the last two digits of the overall iteration. Not just of the iteration of the current run.
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- 20 Jan, 2017 1 commit
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Gregor Michalicek authored
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- 19 Jan, 2017 1 commit
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Gregor Michalicek authored
The interface is by far not yet complete. Up to now the charge density I/O operations in main/vgen.F90 are wrapped.
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