CamCASP/ToDo

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Revision as of 10:58, 12 November 2008 by import>Am592 (→‎CamCASP -- To Do)
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CamCASP => To-Do list

CamCASP -- To Do

  1. Set up patch system for handling updates.
  2. Make tests automatic using James' test code.
  3. Take examples of energy scans etc. I have on my iLiad and put them here on the Wiki (and, eventually, in the User's Guide.
  4. Calculate perturbation matrix - currently in polarizability.f90 - in integrals.f90. At present it still uses Cartesian GTOs.
  5. Reduce the time the code spends in disk I/O.
  6. Reduce memory usage in the code (esp. DF objects).
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