From 3c6b417ae7d4f6fb4f2f292cab52ee3e650dc35c Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Wed, 5 Jun 2019 18:00:04 +0200 Subject: [PATCH] Type conversion --- src/cipsi/cipsi.irp.f | 2 +- src/cipsi/stochastic_cipsi.irp.f | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/cipsi/cipsi.irp.f b/src/cipsi/cipsi.irp.f index b07ab22f..a41fa911 100644 --- a/src/cipsi/cipsi.irp.f +++ b/src/cipsi/cipsi.irp.f @@ -103,7 +103,7 @@ subroutine run_cipsi if (qp_stop()) exit n_det_before = N_det - to_select = N_det*int(sqrt(dble(N_states)))*selection_factor + to_select = int(sqrt(dble(N_states)*dble(N_det))*selection_factor) to_select = max(N_states_diag, to_select) call ZMQ_selection(to_select, pt2, variance, norm) diff --git a/src/cipsi/stochastic_cipsi.irp.f b/src/cipsi/stochastic_cipsi.irp.f index 98e842e5..21b5f293 100644 --- a/src/cipsi/stochastic_cipsi.irp.f +++ b/src/cipsi/stochastic_cipsi.irp.f @@ -70,7 +70,7 @@ subroutine run_stochastic_cipsi write(*,'(A)') '--------------------------------------------------------------------------------' - to_select = N_det*int(sqrt(dble(N_states)))*selection_factor + to_select = int(sqrt(dble(N_states)*dble(N_det))*selection_factor) to_select = max(N_states_diag, to_select) pt2 = 0.d0