diff --git a/arc/job/adapters/molpro.py b/arc/job/adapters/molpro.py index 2bf66c39ba..a3e8b96b71 100644 --- a/arc/job/adapters/molpro.py +++ b/arc/job/adapters/molpro.py @@ -38,8 +38,6 @@ input_template = """***,${label} memory,${memory},m; -file,1,file1.int !allocate permanent integral file -file,2,file2.wfu !allocate permanent wave-function (dump) file geometry={angstrom; ${xyz}} diff --git a/arc/job/adapters/molpro_test.py b/arc/job/adapters/molpro_test.py index 4db70cf94e..c73aeaa974 100644 --- a/arc/job/adapters/molpro_test.py +++ b/arc/job/adapters/molpro_test.py @@ -77,8 +77,6 @@ def test_write_input_file(self): content_1 = f.read() job_1_expected_input_file = """***,spc1 memory,40,m; -file,1,file1.int !allocate permanent integral file -file,2,file2.wfu !allocate permanent wave-function (dump) file geometry={angstrom; O 0.00000000 0.00000000 1.00000000} @@ -108,8 +106,6 @@ def test_write_input_file(self): content_2 = f.read() job_2_expected_input_file = """***,spc1 memory,40,m; -file,1,file1.int !allocate permanent integral file -file,2,file2.wfu !allocate permanent wave-function (dump) file geometry={angstrom; O 0.00000000 0.00000000 1.00000000}