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Feature Request: using previous force field calculations to calculate isotopologue frequencies

Status: Open.

#515 In ntBre/pbqff;

· isolated-matrix opened on Aug 25, 2026

Many individual jobs with identical resource requirements created rather than job array

questionAsking for support or clarificationAsking for support or clarification

Status: Open.

#512 In ntBre/pbqff;

· tardigradus opened on Aug 11, 2026

Anharmonic intensities

questionAsking for support or clarificationAsking for support or clarification

Status: Open.

#504 In ntBre/pbqff;

· isolated-matrix opened on Jul 28, 2026

Cannot determine mode alignment for a benzene structure in semp

bugSomething isn't workingSomething isn't working

Status: Open.

#342 In ntBre/pbqff;

· ntBre opened on Aug 8, 2023