From a5c858692467cdde18fb0dd1ce9919bc5ea62b21 Mon Sep 17 00:00:00 2001 From: Gabriel Gerez Date: Tue, 28 Jun 2022 13:30:05 +0200 Subject: [PATCH] remove more debug info --- python/mrchem/CUBEparser.py | 5 ----- src/initial_guess/cube.cpp | 1 - 2 files changed, 6 deletions(-) diff --git a/python/mrchem/CUBEparser.py b/python/mrchem/CUBEparser.py index b4e95cc8a..24cacae01 100644 --- a/python/mrchem/CUBEparser.py +++ b/python/mrchem/CUBEparser.py @@ -38,9 +38,7 @@ def write_cube_dict(file_dict, world_unit): all_path_list.append(sort_paths(file_dict["guess_cube_p"])) all_path_list.append(sort_paths(file_dict["guess_cube_a"])) all_path_list.append(sort_paths(file_dict["guess_cube_b"])) - print("sort x paired") all_path_list.append(sort_paths(file_dict["guess_cube_x_p"])) - print("after sort x paired") all_path_list.append(sort_paths(file_dict["guess_cube_x_a"])) all_path_list.append(sort_paths(file_dict["guess_cube_x_b"])) all_path_list.append(sort_paths(file_dict["guess_cube_y_p"])) @@ -51,7 +49,6 @@ def write_cube_dict(file_dict, world_unit): cube_list = [] if (len(path_list) != 0): for path in path_list: - print(path) cube_list.append(parse_cube_file(path, world_unit)) all_cube_list.append(cube_list) @@ -95,13 +92,11 @@ def write_cube_dict(file_dict, world_unit): def sort_paths(path): - print(path, "in sort paths") path_l = [] dir_path = "/".join(path.split("/")[:-1]) directory = os.fsencode(dir_path) if (os.path.isdir(dir_path)): for file in os.listdir(directory): - print(file, "file in loop of sort_paths") filename = os.fsdecode(file) if ((filename.startswith(path.split("/")[-1])) and (filename.endswith(".cube"))): path_l.append(dir_path+"/"+filename) diff --git a/src/initial_guess/cube.cpp b/src/initial_guess/cube.cpp index 353a195d7..bb49460b8 100644 --- a/src/initial_guess/cube.cpp +++ b/src/initial_guess/cube.cpp @@ -77,7 +77,6 @@ bool initial_guess::cube::setup(OrbitalVector &Phi, double prec, const std::stri // Project paired, alpha and beta separately auto success = true; - MSG_INFO("before projecting paired"); success &= initial_guess::cube::project_mo(Phi, prec, file_p); success &= initial_guess::cube::project_mo(Phi_a, prec, file_a); success &= initial_guess::cube::project_mo(Phi_b, prec, file_b);