Search results

Standardize and document deployment

Status: Open.

#39 In cloudlab-cmu/cloudcompchem;

· bruno-ecl opened on Aug 2, 2024

Switch from dataclasses to pydantic BaseModel

Status: Open.

#35 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on May 8, 2024

Switch from Flask to FastAPI

Status: Open.

#34 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on May 8, 2024

Switch URL to production one when deployed

Status: Open.

#29 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 18, 2024

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Client side SDK

Client side sdk for single point energy

Status: Open.

#28 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 18, 2024

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Client side SDK

Server/CLI handling for hessian endpoint

priority

Status: Open.

#26 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 18, 2024

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Hessian endpoint

Application logic for Hessian endpoint

Status: Open.

#25 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 18, 2024

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Hessian endpoint

Hessian request/response structures

Status: Open.

#23 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 18, 2024

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Hessian endpoint

Vibrational energy server code

priority

Status: Open.

#22 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 17, 2024

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Vibrational frequency endpoint

Vibrational calculation code

priority

Status: Open.

#21 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 17, 2024

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Vibrational frequency endpoint

Vibrational frequency request/response scaffolding

priority

Status: Open.

#20 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 17, 2024

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Vibrational frequency endpoint

density matrix from molecular orbital coefficients

Status: Open.

#19 In cloudlab-cmu/cloudcompchem;

· tommyh-ECL opened on Apr 17, 2024

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Density matrix endpoint