From c981fbdf46b91b8fb518142e3eda327fcfa1594d Mon Sep 17 00:00:00 2001 From: Brad Crawford <65550266+bc118@users.noreply.github.com> Date: Sun, 27 Oct 2024 07:07:22 -0400 Subject: [PATCH] Update file_read_and_write.py --- mosdef_dihedral_fit/utils/file_read_and_write.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/mosdef_dihedral_fit/utils/file_read_and_write.py b/mosdef_dihedral_fit/utils/file_read_and_write.py index 929622e..cf90b53 100755 --- a/mosdef_dihedral_fit/utils/file_read_and_write.py +++ b/mosdef_dihedral_fit/utils/file_read_and_write.py @@ -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}"