Patrick Melix
Patrick Melix
**Describe the bug** When I set the TLS options `ImapTLS` and `StartTLS` in a profile, they have no effect. Only the options set in the default profile affect the outcome....
Loading jobs that have been manually run often requires renaming files to fit the PLAMS conventions. By introducing this small change, at least the folder can be named differently than...
I used the `g09-coordinates` as a starting point for this little script. Putting the Elements in a list rather than the `if-else` construct should improve speed for larger molecules.
The latest 1.61 release is recognized by Windows as _Trojan:Script/Phonzy.B!ml_ and installation is blocked.
Writing a BandFragmentJob for pEDA calculations based on the available ADFFragmentJob. Based on initial work by @hweiske. Feedback welcome!