大师大法好!
AfakeG is a tool for Amesp output file visualization. It can convert the output file of geometry optimization task to Gaussian-like format.
- Optimization
- Frequencies
- Transition state
- IRC (WIP)
To use the script AfakeG.py
, make sure GaussView has been installed.
Here is an example in folder example/
, type this command:
$ python3 /path/to/AfakeG.py H2O-opt-freq.aop
>>> Found geometry optimization step 1
>>> Found geometry optimization step 2
>>> Found geometry optimization step 3
>>> Found geometry optimization step 4
>>> Found frequency
大师大法好!
Then a new file H2O-opt-freq_fake.out
will be generated, which can be loaded by GaussView.
This work is inspired by:
- Tian Lu, OfakeG program, http://sobereva.com/soft/OfakeG (accessed Feb 22, 2024)