vipster
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sgsaenger
Visualization and editing of periodic molecular structure files.
**Describe the bug** See the [log](https://pdr2.bofh.network/data/124-diizzy/2023-09-16_11h19m19s/logs/errors/vipster-1.19.1.b.14_1.log). **Your system/installation (please complete the following information):** - Version 1.19.1b-14-g7168a1b - Platform FreeBSD 12.4 Downstream [bug report](https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=273879).
Investigate compatibility of PWI format implementation with newer QE-Version's features: https://www.quantum-espresso.org/Doc/INPUT_PW.html The current implementation was done against QE V4. Possible issues/tasks: - Add `&FCP` namelist, tie export to value of...
The current architecture of the main Vipster frontend (`vipster/gui/qt`) is too convoluted and not maintainable. Development of a new application architecture is performed on a branch https://github.com/sgsaenger/vipster/tree/architecture. **Acceptance criteria** -...
**Is your feature request related to a problem? Please describe.** I'm having trouble drawing a simple molecule (eg. H2O) in VIPSTER using the mouse. I am able to type coordinates...
**Is your feature request related to a problem? Please describe.** Not really. In order to create nice surface slab pictures it would be outstanding if one could, for example, represent...
**Describe the bug** When modifying periodic structures, I often toggle between selecting, modifying mode and camera mode using the keyboard shortcuts. However, sometimes when you switch back from modifying to...
It's natural to ask what is the distance between two atoms. Vipster should display the distance (for example under the "Atoms" list) when two atoms are selected.
**Is your feature request related to a problem? Please describe.** Currently moltemplate users have to run ltemplify.py on the files created by VIPSTER, by typing this into the terminal/shell: ```...
The unit test coverage of the library should be increased. **Acceptance criteria** Files in `vipster/`, but not `vipster/plugins` should have an average test coverage of 90%. **Notes** Structure of tests...
Upconversion of container classes should be provided: `Selection` -> `Step` -> `Molecule` Also, compatibility of `Vipster::Vec` and the different Atom classes' `Vec` should be enabled.