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Automatically apply wsl compatibility flags to Orca if wsl detected

Status: Open.

#143 In grimme-lab/CENSO;

· supastishn opened on Aug 12, 2026

Parse version from orca output instead of binary

Status: Open.

#142 In grimme-lab/CENSO;

· supastishn opened on Aug 12, 2026

CENSO with constraints (v 3.0.6)

Status: Open.

#141 In grimme-lab/CENSO;

· vlni-168 opened on Jul 8, 2026

Decoupling --unpaired for xTB steps vs. QM input generation in open-shell lanthanide complexes

Status: Open.

#140 In grimme-lab/CENSO;

· luanfsc opened on Jun 5, 2026

function part4 NMR issue censo 1.2

Status: Open.

#138 In grimme-lab/CENSO;

· jouteurestaque opened on May 4, 2026

Add CONTRIBUTING.md and other community templates

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#135 In grimme-lab/CENSO;

· lmseidler opened on Mar 9, 2026

·  

v3.1.0

Crestcheck replacement

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#134 In grimme-lab/CENSO;

· lmseidler opened on Mar 6, 2026

·  

v3.1.0

Create parser classes

enhancementNew feature or requestNew feature or request

Status: Open.

Task

#110 In grimme-lab/CENSO;

· lmseidler opened on Dec 12, 2025

·  

v3.1.0

Re-add multitemp

Status: Open.

Task

#109 In grimme-lab/CENSO;

· lmseidler opened on Dec 11, 2025

·  

v3.1.0

CENSO MCP Server

enhancementNew feature or requestNew feature or request

Status: Open.

#107 In grimme-lab/CENSO;

· lukaswittmann opened on Nov 24, 2025

Add UMA MLIP to screening

enhancementNew feature or requestNew feature or request

Status: Open.

#102 In grimme-lab/CENSO;

· lmseidler opened on Oct 22, 2025

Isotopic Abundance in anmr

enhancementNew feature or requestNew feature or request

Status: Open.

#65 In grimme-lab/CENSO;

· ph283804 opened on Nov 12, 2024