Difference between revisions of "CamCASP/ToDo"
Jump to navigation
Jump to search
import>Am592 |
import>Am592 |
||
| Line 8: | Line 8: | ||
# 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. |
||
# Reduce the time the code spends in [[ CamCASP/ToDo/diskIO | disk I/O]]. |
# Reduce the time the code spends in [[ CamCASP/ToDo/diskIO | disk I/O]]. |
||
| + | # Reduce [[ CamCASP/ToDo/Memory | memory usage]] in the code (esp. DF objects). |
||
Revision as of 10:58, 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.
- Reduce memory usage in the code (esp. DF objects).