From 2af2bac8d6a4694c5cf9d2a34359a4469b1373d7 Mon Sep 17 00:00:00 2001 From: Manuel Date: Tue, 3 Jul 2018 15:48:39 -0400 Subject: [PATCH] Commenting parts of SVO examples because issue #98 is not fixed. --- doc/guide/images_scripts/dft_dmft_cthyb.py | 15 ++++++++------- doc/guide/images_scripts/dft_dmft_cthyb_slater.py | 15 ++++++++------- 2 files changed, 16 insertions(+), 14 deletions(-) diff --git a/doc/guide/images_scripts/dft_dmft_cthyb.py b/doc/guide/images_scripts/dft_dmft_cthyb.py index 8b7cbb34..3fcdceb6 100644 --- a/doc/guide/images_scripts/dft_dmft_cthyb.py +++ b/doc/guide/images_scripts/dft_dmft_cthyb.py @@ -102,14 +102,15 @@ for iteration_number in range(1,loops+1): if mpi.is_master_node(): # We can do a mixing of Delta in order to stabilize the DMFT iterations: S.G0_iw << S.Sigma_iw + inverse(S.G_iw) - ar = HDFArchive(dft_filename+'.h5','a') - if (iteration_number>1 or previous_present): - mpi.report("Mixing input Delta with factor %s"%delta_mix) - Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] - S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta - ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) + # The following lines are uncommented until issue #98 is fixed in TRIQS + # ar = HDFArchive(dft_filename+'.h5','a') + # if (iteration_number>1 or previous_present): + # mpi.report("Mixing input Delta with factor %s"%delta_mix) + # Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] + # S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta + # ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) S.G0_iw << inverse(S.G0_iw) - del ar + # del ar S.G0_iw << mpi.bcast(S.G0_iw) diff --git a/doc/guide/images_scripts/dft_dmft_cthyb_slater.py b/doc/guide/images_scripts/dft_dmft_cthyb_slater.py index 396a8660..5150f6e4 100644 --- a/doc/guide/images_scripts/dft_dmft_cthyb_slater.py +++ b/doc/guide/images_scripts/dft_dmft_cthyb_slater.py @@ -105,14 +105,15 @@ for iteration_number in range(1,loops+1): if mpi.is_master_node(): # We can do a mixing of Delta in order to stabilize the DMFT iterations: S.G0_iw << S.Sigma_iw + inverse(S.G_iw) - ar = HDFArchive(dft_filename+'.h5','a') - if (iteration_number>1 or previous_present): - mpi.report("Mixing input Delta with factor %s"%delta_mix) - Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] - S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta - ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) + # The following lines are uncommented until issue #98 is fixed in TRIQS + # ar = HDFArchive(dft_filename+'.h5','a') + # if (iteration_number>1 or previous_present): + # mpi.report("Mixing input Delta with factor %s"%delta_mix) + # Delta = (delta_mix * delta(S.G0_iw)) + (1.0-delta_mix) * ar['dmft_output']['Delta_iw'] + # S.G0_iw << S.G0_iw + delta(S.G0_iw) - Delta + # ar['dmft_output']['Delta_iw'] = delta(S.G0_iw) S.G0_iw << inverse(S.G0_iw) - del ar + # del ar S.G0_iw << mpi.bcast(S.G0_iw)