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Update file_read_and_write.py
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bc118 authored Oct 27, 2024
1 parent 95abfe6 commit c981fbd
Showing 1 changed file with 0 additions and 3 deletions.
3 changes: 0 additions & 3 deletions mosdef_dihedral_fit/utils/file_read_and_write.py
Original file line number Diff line number Diff line change
@@ -182,9 +182,6 @@ def write_xyz_file_from_gaussian_coordinates(
atom_names_with_2_spaces_in_front = []
for j_iter in range(0, len(atom_names_list)):
atom_names_with_2_spaces_in_front.append(f" {atom_names_list[j_iter]}")
print(f"******************")
print(f" {atom_names_list[j_iter]}")
print(f"******************")

for i_iter in range(1, total_qm_scans + 1):
read_gausian_file_dir_name = f"{qm_parital_coordinate_file_starting_dir_and_name}{i_iter}.{qm_coordinate_file_extension}"

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