Maciej Bartkowiak
Maciej Bartkowiak
Looks good. Should we give the users a choice of how long the trajectory segment will be? For very expensive, slow simulations they may want to use as much as...
This will be combined with issue #57 and solved by creating a general user settings object and a separate session manager.
The new GUI is close to its final intended form, so we can consider this implemented.
This looks better than the solution I tried last time. _Should_ work
This has been implemented in MoleculeFinder in #392
For performance reasons, this tree should also be populated the lazy way. Only if somebody tries to unfold the list of individual atoms of a given type, then we should...
This will have to be re-done for the Python 3 version.
Yes, this would be my preference. Probably not a big deal since we are working with arbitrary units here, but still it would make the results more consistent.
Hello, I'm a maintainer.
So far my testing has confirmed that: 1. Static structure factor is affected too. 2. Dynamic Coherent Structure Factor is *not*.