| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(fcimc_iter_data), | intent(inout) | :: | iter_data | |||
| integer, | intent(out) | :: | determ_index |
subroutine init_kp_fciqmc_iter(iter_data, determ_index) use FciMCData, only: FreeSlot, iStartFreeSlot, iEndFreeSlot, fcimc_iter_data, InitialSpawnedSlots use FciMCData, only: ValidSpawnedList, spawn_ht use hash, only: clear_hash_table use rdm_data, only: rdm_definitions type(fcimc_iter_data), intent(inout) :: iter_data integer, intent(out) :: determ_index ! Reset positions to spawn into in the spawning array. ValidSpawnedList = InitialSpawnedSlots ! Reset the array which holds empty slots in CurrentDets. FreeSlot(1:iEndFreeSlot) = 0 iStartFreeSlot = 1 iEndFreeSlot = 0 ! Index for counting deterministic states. determ_index = 1 ! Clear the hash table for the spawning array. call clear_hash_table(spawn_ht) call rezero_iter_stats_each_iter(iter_data, rdm_definitions) end subroutine init_kp_fciqmc_iter