| 12:23:44 PM PST - Fri, Mar 7th 2014 |
|
| Is it possible to save the scratch files with the one and two electrons integrals with the intention of reusing them when restarting a dft energy/tddft energy calculation? I have a very large system, and calculating those integrals every time a restart is required takes a few days (partly because i'm limited to a small number of cores, but i can afford about 20gb of memory per core). It would expedite my calculations if the integrals could simply be read from saved scratch files.
|