support van_der_waals QChem section in write_input

rkingsbury · rkingsbury · commit 6669b7fedf02 · 2021-05-06T18:54:47.000-07:00
diff --git a/atomate/qchem/firetasks/write_inputs.py b/atomate/qchem/firetasks/write_inputs.py
@@ -138,6 +138,7 @@ class WriteCustomInput(FiretaskBase):
         "opt",
         "pcm",
         "solvent",
+        "van_der_waals",
         "input_file",
         "write_to_dir",
     ]

Original file line number	Diff line number	Diff line change
`@@ -138,6 +138,7 @@ class WriteCustomInput(FiretaskBase):`
`138`	`138`	`"opt",`
`139`	`139`	`"pcm",`
`140`	`140`	`"solvent",`
	`141`	`+ "van_der_waals",`
`141`	`142`	`"input_file",`
`142`	`143`	`"write_to_dir",`
`143`	`144`	`]`