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FractalSnowflake error when using conda installation

Status: Open.

#912 In MolSSI/QCFractal;

·jaclark5 openedon Mar 18, 2025

Error with PostgreSQL with us of FractalSnowflake

Status: Open.

#908 In MolSSI/QCFractal;

·jaclark5 openedon Mar 12, 2025

Are there any PySCF data on QCArchive

Status: Open.

#873 In MolSSI/QCFractal;

·jhmlam openedon Dec 23, 2024

[Question] Number of task with MPI applications

Status: Open.

#859 In MolSSI/QCFractal;

·FNTwin openedon Dec 3, 2024

Worker getting removed

Status: Open.

#850 In MolSSI/QCFractal;

·FNTwin openedon Oct 8, 2024

Slow retrieval of trajectories inside and optimization

Status: Open.

#842 In MolSSI/QCFractal;

·chrisiacovella openedon May 25, 2024

Behavior if specification doesn't exist in a record

Status: Open.

#805 In MolSSI/QCFractal;

·chrisiacovella openedon Mar 15, 2024

Allow compute managers to use micromamba

ComputeRelated to queue managersRelated to queue managers

Status: Open.

#779 In MolSSI/QCFractal;

·bennybp openedon Oct 20, 2023

Why do some records have error set?

Status: Open.

#772 In MolSSI/QCFractal;

·peastman openedon Oct 14, 2023

Wrong typecasting in records

Status: Open.

#766 In MolSSI/QCFractal;

·chrisiacovella openedon Oct 5, 2023

Optimization + Singlepoint workflow

Status: Open.

#748 In MolSSI/QCFractal;

·bennybp openedon Sep 14, 2023

Local data persistence & caching

InterfaceRelated to the Interface layer (QCPortal)Related to the Interface layer (QCPortal)

Performance

Status: Open.

#740 In MolSSI/QCFractal;

·chrisiacovella openedon Sep 5, 2023