Energy Wrong Display

General Discussion Support
1

I believe this to be a bug with Avogadro

Environment Information

Avogadro version: 1.2.0
Operating system and version: Windows 10, 1903

Expected Behavior

The Energy reading should be correct… I wonder if it’s unistallation of Visual C++ that causes the problem

Actual Behavior

image

Steps to Reproduce

  1. open up avogadro
  2. put in a molecular .out file
  3. receive the wrong energy output, as shown in the picture
  4. knowing not what to do and develop depression (kidding)

File here, if you want.

Please help.

2

Huh, that’s a new one. :slight_smile:

I’ll take a look. Given that the orbitals show up, I’m guessing that there’s a slight change in the Orca output files.

3

Any result so far? Please help the poor sci-man knowing little about avogadro :frowning: