diff --git a/src/cis/cis.irp.f b/src/cis/cis.irp.f index acec29c2..c4100105 100644 --- a/src/cis/cis.irp.f +++ b/src/cis/cis.irp.f @@ -79,6 +79,6 @@ subroutine run call ezfio_set_cis_energy(CI_energy) psi_coef = ci_eigenvectors SOFT_TOUCH psi_coef - call save_wavefunction_truncated(1.d-12) + call save_wavefunction_truncated(threshold_save_wf) end diff --git a/src/determinants/EZFIO.cfg b/src/determinants/EZFIO.cfg index 662c6fbb..1e85693b 100644 --- a/src/determinants/EZFIO.cfg +++ b/src/determinants/EZFIO.cfg @@ -136,3 +136,9 @@ doc: If |true|, discard any Slater determinants with an interaction smaller than interface: ezfio,provider,ocaml default: False + +[threshold_save_wf] +type: Threshold +doc: Threshold on the coefficients of the wave function when saving it into the ezfio +interface: ezfio,provider,ocaml +default: 1.e-14