- 16 Mar, 2017 1 commit
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Daniel Wortmann authored
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- 15 Mar, 2017 2 commits
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Gregor Michalicek authored
The elimination of the wkf2 file for cdn_hdf calculations is not yet part of this commit.
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Gregor Michalicek authored
Also in this commit: - Bugfix... Added missing initializations in readDensityHDF.
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- 13 Mar, 2017 1 commit
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Gregor Michalicek authored
...hope it doesn't break anything. HDF5 replacement of stars file is not yet implemented.
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- 03 Mar, 2017 1 commit
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Gregor Michalicek authored
The bugs affected film calculations.
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- 02 Mar, 2017 3 commits
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Gregor Michalicek authored
So far this is only tested for simple systems. Like the cdn.hdf file the usage of pot.hdf is also enables with the -hdf_cdn command line switch.
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Gregor Michalicek authored
Also in this commit: improved Htr to eV factor in evaldos and adapted the related tests.
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Gregor Michalicek authored
Also in this commit: Fixed a few problems due to the last commit introducing init/checks.F90. There are still problems remaining. The code does not compile at the moment.
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- 01 Mar, 2017 2 commits
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Gregor Michalicek authored
The command line argument is something like "-sd 5" (to select density no. 5.)
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Gregor Michalicek authored
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- 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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