undefined density_matrix_mo_func is not defined
Setting diis = False in hf will trigger this error:
Traceback (most recent call last): File "/home/wanglei/hydrogen-qc/test/test_bcc_solid.py", line 80, in test_bcc_solid_hf() File "/home/wanglei/hydrogen-qc/test/test_bcc_solid.py", line 65, in test_bcc_solid_hf mo_coeff, bands = lcao(xp) File "/home/wanglei/hydrogen-qc/hqc/pbc/lcao.py", line 571, in hf_fp dm_mo = density_matrix_mo_func(w1) NameError: name 'density_matrix_mo_func' is not defined