Fix tests

Author: samblau

atomate/qchem/firetasks/tests/test_write_inputs.py

@@ -111,6 +111,7 @@ def test_write_input(self):
             "gen_scfman": True,
             "scf_algorithm": "diis",
             "xc_grid": 3,
+            "thresh": 14,
             "sym_ignore": True,
             "symmetry": False,
             "resp_charges": True,
@@ -133,6 +134,7 @@ def test_write_custom_input(self):
             "gen_scfman": True,
             "scf_algorithm": "diis",
             "xc_grid": 3,
+            "thresh": 14,
             "sym_ignore": True,
             "symmetry": False,
             "resp_charges": True,

atomate/qchem/test_files/co_qc.in

@@ -13,6 +13,7 @@ $rem
    gen_scfman = True
    scf_algorithm = diis
    xc_grid = 3
+   thresh = 14
    symmetry = False
    sym_ignore = True
    resp_charges = True

atomate/qchem/test_files/to_opt.qin

@@ -20,6 +20,7 @@ $rem
    geom_opt_max_cycles = 200
    max_scf_cycles = 200
    xc_grid = 3
+   thresh = 14
    symmetry = False
    sym_ignore = True
    resp_charges = True

atomate/qchem/test_files/to_opt_pcm.qin

@@ -21,6 +21,7 @@ $rem
    max_scf_cycles = 200
    SOLVENT_METHOD  =  PCM
    xc_grid = 3
+   thresh = 14
    symmetry = False
    sym_ignore = True
    resp_charges = True

atomate/qchem/test_files/to_opt_smd.qin

@@ -21,6 +21,7 @@ $rem
    max_scf_cycles = 200
    SOLVENT_METHOD  =  smd
    xc_grid = 3
+   thresh = 14
    ideriv = 1
    symmetry = False
    sym_ignore = True