[WIP] getforce from OUTCAR

Question

[WIP] getforce from OUTCAR

Opened this issue 6 years ago · 2 comments

Previously, I usually use a getforce bash code which is also included in this tool_library.
However, I found sometimes it does't work well if environment changes.
Hence, I decide to write a new one using python.

Answer 1 · 2019-06-06T14:59:27.000Z

revise this script, so that element can be printed.

Answer 2 · 2019-06-18T01:28:27.000Z

The current getforce.py can print the forces both from scf and relaxation calculations.