Issues

• Standardize and document deployment

  cloudlab-cmu/cloudcompchem#39 · Filter by author bruno-ecl opened on Aug 2, 2024
  

• Switch from dataclasses to pydantic BaseModel

  cloudlab-cmu/cloudcompchem#35 · Filter by author tommyh-ECL opened on May 8, 2024
  

• Switch from Flask to FastAPI

  cloudlab-cmu/cloudcompchem#34 · Filter by author tommyh-ECL opened on May 8, 2024
  

• Switch URL to production one when deployed

  cloudlab-cmu/cloudcompchem#29 · Filter by author tommyh-ECL opened on Apr 18, 2024 · Client side SDK
  

• Client side sdk for single point energy

  cloudlab-cmu/cloudcompchem#28 · Filter by author tommyh-ECL opened on Apr 18, 2024 · Client side SDK
  1

  

• Server/CLI handling for hessian endpoint

  priority
  cloudlab-cmu/cloudcompchem#26 · Filter by author tommyh-ECL opened on Apr 18, 2024 · Hessian endpoint
  1

  

• Application logic for Hessian endpoint

  cloudlab-cmu/cloudcompchem#25 · Filter by author tommyh-ECL opened on Apr 18, 2024 · Hessian endpoint
  

• Hessian request/response structures

  cloudlab-cmu/cloudcompchem#23 · Filter by author tommyh-ECL opened on Apr 18, 2024 · Hessian endpoint
  

• Vibrational energy server code

  priority
  cloudlab-cmu/cloudcompchem#22 · Filter by author tommyh-ECL opened on Apr 17, 2024 · Vibrational frequency endpoint
  

• Vibrational calculation code

  priority
  cloudlab-cmu/cloudcompchem#21 · Filter by author tommyh-ECL opened on Apr 17, 2024 · Vibrational frequency endpoint
  

• Vibrational frequency request/response scaffolding

  priority
  cloudlab-cmu/cloudcompchem#20 · Filter by author tommyh-ECL opened on Apr 17, 2024 · Vibrational frequency endpoint
  

• density matrix from molecular orbital coefficients

  cloudlab-cmu/cloudcompchem#19 · Filter by author tommyh-ECL opened on Apr 17, 2024 · Density matrix endpoint
  2