Difference between revisions of "CamCASP/ToDo"
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# 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''. |
# 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''. |
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# Calculate perturbation matrix - currently in polarizability.f90 - in integrals.f90. At present it still uses Cartesian GTOs. |
# Calculate perturbation matrix - currently in polarizability.f90 - in integrals.f90. At present it still uses Cartesian GTOs. |
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| − | # Reduce the time the code spends in disk I/O. |
+ | # Reduce the time the code spends in [[ CamCASP/ToDo/diskIO | disk I/O]]. |
Revision as of 11:33, 12 November 2008
CamCASP => To-Do list
CamCASP -- To Do
- Set up patch system for handling updates.
- Make tests automatic using James' test code.
- 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.
- Calculate perturbation matrix - currently in polarizability.f90 - in integrals.f90. At present it still uses Cartesian GTOs.
- Reduce the time the code spends in disk I/O.