qp_stop

Requests for a clean termination of the program.

This will have the effect to exit the Davidson diagonalization, the SCF procedure or the determinant selection to save the current wave function and exit the program.

Usage

qp_stop [-chq] EZFIO_DIR

-c, --cancel

Cancel the qp_stop order.

-q, --query

Ask if EZFIO_DIR was requested to stop.