Difference between revisions of "CamCASP/ToDo"
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# Set up patch system for handling updates. |
# Set up patch system for handling updates. |
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# Make tests automatic using James' test code. |
# Make tests automatic using James' test code. |
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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. |
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Revision as of 10:10, 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.