joerivanlimpt

Results 3 issues of joerivanlimpt

It could be a good add if Avogadro could import trajectories from PDB files. The old Avogadro had this feature, but it does not seem present/working in Avogadro 2. Similar...

good first issue
file-format

The projections built into VASP are not always ideal, there can be significant charge spilling. Codes like lobster (cohp.de) are known to have less spilling because of more specialized projections....

VASP format files like POSCAR files are already supported but the OUTCAR file is not. You can drag and drop an OUTCAR file into Avogadro2 but this will import all...

enhancement
help wanted
file-format