[test] add missing test for afm order and cthyb for better test coverage

Author: the-hampel

doc/tutorials/NNO_os_plo_mag/config.toml …utorials/NNO_os_plo_mag/dmft_config.tomldoc/tutorials/NNO_os_plo_mag/config.toml renamed to doc/tutorials/NNO_os_plo_mag/dmft_config.toml doc/tutorials/NNO_os_plo_mag/config.toml renamed to doc/tutorials/NNO_os_plo_mag/dmft_config.toml

@@ -9,6 +9,7 @@ n_iw = 2001
 n_tau = 20001
 
 prec_mu = 0.001
+mu_initial_guess = -0.003526
 
 h_int_type = "density_density"
 U = 8.0
@@ -21,7 +22,7 @@ magnetic = true
 magmom = [-0.3, 0.3]
 afm_order = true
 
-n_iter_dmft = 14
+n_iter_dmft = 1
 
 g0_mix = 0.9
 
@@ -35,8 +36,8 @@ path_to_sigma = "pre_AFM.h5"
 [solver]
 type = "cthyb"
 length_cycle = 2000
-n_warmup_cycles = 5e+3
-n_cycles_tot = 1e+7
+n_warmup_cycles = 5e+2
+n_cycles_tot = 1e+4
 imag_threshold = 1e-5
 
 perform_tail_fit = true

test/python/CMakeLists.txt

@@ -39,6 +39,7 @@ set (integration_tests
      svo_hubbardI_basic
      svo_hartree
      lno_hubbardI_mag
+     lno_cthyb_mag
      svo_cthyb_basic_crm
      svo_cthyb_basic_tf
      svo_ctseg_crm

test/python/lno_cthyb_mag/dmft_config.toml

@@ -0,0 +1,41 @@
+[general]
+seedname = "inp"
+jobname = "out"
+
+enforce_off_diag = false
+block_threshold = 1e-1
+mu_initial_guess = -0.003377
+
+n_iw = 701
+beta = 40
+n_tau = 10001
+
+prec_mu = 0.001
+
+h_int_type = "kanamori_den_den"
+U = 1.83
+J = 0.37
+
+magnetic = true
+magmom = [-0.2, 0.2]
+
+n_iter_dmft = 1
+
+dc_type = 1
+dc = true
+dc_dmft = false
+
+[solver]
+type = "cthyb"
+idx_impurities = [0, 1]
+length_cycle = 300
+n_warmup_cycles = 1e+3
+n_cycles_tot = 1e+4
+imag_threshold = 1e-5
+delta_interface = true
+measure_density_matrix = true
+measure_pert_order = true
+perform_tail_fit = true
+fit_max_moment = 4
+fit_min_w = 4
+fit_max_w = 10

test/python/lno_cthyb_mag/inp.h5

@@ -0,0 +1,27 @@
+import sys
+import shutil
+
+from triqs.gf import *
+from triqs.utility.comparison_tests import assert_block_gfs_are_close
+from h5 import HDFArchive
+import triqs.utility.mpi as mpi
+
+import solid_dmft.main as solid
+
+
+if mpi.is_master_node():
+    shutil.rmtree('out', ignore_errors=True)
+
+mpi.barrier()
+
+solid.main([None, 'dmft_config.toml'])
+
+mpi.barrier()
+
+if mpi.is_master_node():
+    out = 'out/inp.h5'
+    ref = 'ref.h5'
+
+    out =  HDFArchive(out, 'r')['DMFT_results']['last_iter']
+    ref =  HDFArchive(ref, 'r')['DMFT_results']['last_iter']
+