#include <Restart.h>
Collaboration diagram for madness::RestartSummary:
Public Attributes | |
| Tensor< double > | aeps |
| alpha orbital energies | |
| Tensor< double > | aocc |
| alpha occupations | |
| std::vector< int > | aset |
| localization sets | |
| RestartMetadata | meta |
| std::size_t | nmo_alpha = 0 |
Detailed Description
the header plus the alpha orbital bookkeeping, still without any MRA data
The archive is laid out as header, then per spin: uint nmo, Tensor eps, Tensor occ, vector<int> set, then nmo MRA functions (SCF::save_mos / SCF::load_mos). So nmo, the orbital energies and the occupations of the ALPHA block sit immediately after the header and cost nothing to read. The beta block is on the far side of every alpha function, so it is deliberately not part of a cheap peek.
Member Data Documentation
◆ aeps
◆ aocc
◆ aset
| std::vector<int> madness::RestartSummary::aset |
localization sets
◆ meta
| RestartMetadata madness::RestartSummary::meta |
◆ nmo_alpha
| std::size_t madness::RestartSummary::nmo_alpha = 0 |
The documentation for this struct was generated from the following file:
