Search results

Implement print level to manage output verbosity

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#52 In hbar-team/SPyCCI;

· AresValley opened on Oct 17, 2025

·  

1.1.0

SPyCCI Version 1.0.0 release

PriorityFlag to mark very urgent tasksFlag to mark very urgent tasks

Status: Open.

#50 In hbar-team/SPyCCI;

· ppravatto opened on Oct 17, 2025

·  

1.0.0

Implement support from PDB files

Status: Open.

#49 In hbar-team/SPyCCI;

· ppravatto opened on Oct 17, 2025

Implement import/export of <code>System</code> objects form SDF files

Status: Open.

#48 In hbar-team/SPyCCI;

· ppravatto opened on Oct 17, 2025

Implement generation of <code>.gif</code> animation from <code>System</code> list or <code>Path</code>

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#47 In hbar-team/SPyCCI;

· ppravatto opened on Oct 17, 2025

Update to the vibrational spectroscopy module

enhancementNew feature or requestNew feature or request

Status: Open.

#46 In hbar-team/SPyCCI;

· ppravatto opened on Oct 17, 2025

Introduce <code>ReactionPath</code> class and related tools

enhancementNew feature or requestNew feature or request

Status: Open.

#44 In hbar-team/SPyCCI;

· ppravatto opened on Oct 14, 2025

·  

1.0.0

Conformer generation using the ETKDG-v3 algorithm

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#35 In hbar-team/SPyCCI;

· ppravatto opened on Sep 4, 2025

Implement QCG in automatic pKa calculations

enhancementNew feature or requestNew feature or request

Status: Open.

Feature

#30 In hbar-team/SPyCCI;

· lbabetto opened on Aug 29, 2025

Implement System generation from output files

enhancementNew feature or requestNew feature or request

Status: Open.

#9 In hbar-team/SPyCCI;

· ppravatto opened on Aug 11, 2023