fix test on own branch

pyscf · Aug 5, 2024 · 1e47da0 · 1e47da0
1 parent 039ba17
commit 1e47da0
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/pyscf/grad/test/test_grad_mcpdft.py b/pyscf/grad/test/test_grad_mcpdft.py
@@ -54,12 +54,12 @@ def auto_setup (xyz='Li 0 0 0\nH 1.5 0 0'):
     solver_S = fci.solver (mol_nosym, singlet=True).set (spin=0, nroots=2)
     solver_T = fci.solver (mol_nosym, singlet=False).set (spin=2, nroots=3)
     mcp_sa_1 = mcp_ss_nosym.state_average_mix (
-        [solver_S,solver_T], [1.0/5,]*5).run ()
+        [solver_S,solver_T], [1.0/5,]*5).set(ci=None).run ()
     solver_A1 = fci.solver (mol_sym).set (wfnsym='A1', nroots=3)
     solver_E1x = fci.solver (mol_sym).set (wfnsym='E1x', nroots=1, spin=2)
     solver_E1y = fci.solver (mol_sym).set (wfnsym='E1y', nroots=1, spin=2)
     mcp_sa_2 = mcp_ss_sym.state_average_mix (
-        [solver_A1,solver_E1x,solver_E1y], [1.0/5,]*5).run ()
+        [solver_A1,solver_E1x,solver_E1y], [1.0/5,]*5).set(ci=None).run ()
     mcp = [[mcp_ss_nosym, mcp_ss_sym], [mcp_sa_0, mcp_sa_1, mcp_sa_2]]
     nosym = [mol_nosym, mf_nosym, mc_nosym]
     sym = [mol_sym, mf_sym, mc_sym]

diff --git a/pyscf/mcpdft/test/test_mcpdft.py b/pyscf/mcpdft/test/test_mcpdft.py
@@ -53,12 +53,12 @@ def auto_setup (xyz='Li 0 0 0\nH 1.5 0 0', fnal='tPBE'):
     solver_S = fci.solver (mol_nosym, singlet=True).set (spin=0, nroots=2)
     solver_T = fci.solver (mol_nosym, singlet=False).set (spin=2, nroots=3)
     mcp_sa_1 = mcp_ss_nosym.state_average_mix (
-        [solver_S,solver_T], [1.0/5,]*5).run (conv_tol=1e-8)
+        [solver_S,solver_T], [1.0/5,]*5).set(ci=None).run (conv_tol=1e-8)
     solver_A1 = fci.solver (mol_sym).set (wfnsym='A1', nroots=3)
     solver_E1x = fci.solver (mol_sym).set (wfnsym='E1x', nroots=1, spin=2)
     solver_E1y = fci.solver (mol_sym).set (wfnsym='E1y', nroots=1, spin=2)
     mcp_sa_2 = mcp_ss_sym.state_average_mix (
-        [solver_A1,solver_E1x,solver_E1y], [1.0/5,]*5).run (conv_tol=1e-8)
+        [solver_A1,solver_E1x,solver_E1y], [1.0/5,]*5).set(ci=None).run (conv_tol=1e-8)
     mcp = [[mcp_ss_nosym, mcp_ss_sym], [mcp_sa_0, mcp_sa_1, mcp_sa_2]]
     nosym = [mol_nosym, mf_nosym, mc_nosym]
     sym = [mol_sym, mf_sym, mc_sym]