Context Navigation

results_grid.dat@ eaf08f

Visit:

Fix_FitPartialCharges

Last change on this file since eaf08f was 4d08b7, checked in by Frederik Heber <heber@…>, 9 years ago

Added FitFragmentPartialChargesAction that fits partial charges to fragments in result container.

this is one way of getting the problem of (so far) no knowing the keysets to the fragments (containing the potential grids) in the HomologyContainer. We simply don't use the HomologyContainer but the FragmentationResultContainer.
However, this then only works for a single time step.
FIX: Copy&pasted several functions from FitPartialChargesAction which needed to be made static to avoid duplicate symbols.

File size: 2.8 MB

HTML preview not available, since the file size exceeds 256.0 KB.Try downloading the file instead.

Note: See TracBrowser for help on using the repository browser.