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added method field to terachem harness (#273)
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Co-authored-by: stvogt <[email protected]>
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stvogt and stvogt authored Oct 12, 2020
1 parent 3a05aa8 commit a206fb9
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1 change: 1 addition & 0 deletions qcengine/programs/terachem.py
Original file line number Diff line number Diff line change
Expand Up @@ -97,6 +97,7 @@ def build_input(

input_file.append("\n# model")
input_file.append("basis " + str(input_model.model.basis))
input_file.append("method " + str(input_model.model.method))

input_file.append("\n# driver")
input_file.append("run " + input_model.driver)
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