Tags

Tags give the ability to mark specific points in history as being important

1.1.5

4464d358 · KT: Correctly display charge when using ECPs · Aug 08, 2025

Release: Version1.1.5
```
- Correctly display charge when using ECPs
```

1.1.4

5f68a62f · KT: Adjusted usage of mol files; adjusted lone FOD usage for atoms · Jul 28, 2025

Release: 1/1/4

- Changed usage of bonding information in mol files -> user can overwrite the bonding information
- User can now adjust lone FOD information for atoms without bonds

1.1.3

18790be1 · KT: Adjusted logic to compute linear_planar; bug fix for cores (rotation axis) · Jul 23, 2025
```
Adjusted logic for linear_planar (exclude division by 0); bug fix in cores (rotation axis)
```
1.1.2

143a3aa1 · KT: Added more elements · Jul 22, 2025
```
Added complete list of elements up to Xe
```
1.1.1

7aef0229 · KT: Added option to build restricted guesses · Oct 04, 2024

Release: Version1.1.1
1.1.0

83b3349c · KT: Removed ase dependencies · Sep 20, 2024

Release: Version1.1.0
1.0.0

86a34f1b · KT: Initial upload, version 1.0.0 · Jul 10, 2024

Release: 1.0.0

1.1.5

1.1.4

1.1.3

1.1.2

1.1.1

1.1.0

1.0.0