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remove more debug info
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Gabrielgerez committed Jun 28, 2022
1 parent 24e47ea commit a5c8586
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Showing 2 changed files with 0 additions and 6 deletions.
5 changes: 0 additions & 5 deletions python/mrchem/CUBEparser.py
Original file line number Diff line number Diff line change
Expand Up @@ -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"]))
Expand All @@ -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)

Expand Down Expand Up @@ -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)
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1 change: 0 additions & 1 deletion src/initial_guess/cube.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -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);
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