| sparc/__init__.py |
_missing_deps_func |
1 |
1 |
0 |
0% |
| sparc/__init__.py |
SPARCMissingDeps.__init__ |
1 |
1 |
0 |
0% |
| sparc/__init__.py |
SPARCMissingDeps.__getattr__ |
1 |
1 |
0 |
0% |
| sparc/__init__.py |
(no function) |
21 |
6 |
0 |
71% |
| sparc/api.py |
SparcAPI.__init__ |
10 |
0 |
0 |
100% |
| sparc/api.py |
SparcAPI.get_parameter_dict |
4 |
0 |
0 |
100% |
| sparc/api.py |
SparcAPI.help_info |
3 |
0 |
0 |
100% |
| sparc/api.py |
SparcAPI.validate_input |
43 |
6 |
0 |
86% |
| sparc/api.py |
SparcAPI.convert_string_to_value |
36 |
8 |
0 |
78% |
| sparc/api.py |
SparcAPI.convert_value_to_string |
21 |
6 |
0 |
71% |
| sparc/api.py |
_array_to_string |
10 |
0 |
0 |
100% |
| sparc/api.py |
(no function) |
16 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.__init__ |
22 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC._compare_system_state |
12 |
2 |
0 |
83% |
| sparc/calculator.py |
SPARC._compare_calc_parameters |
20 |
7 |
0 |
65% |
| sparc/calculator.py |
SPARC._dump_system_state |
2 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.ensure_socket |
13 |
2 |
0 |
85% |
| sparc/calculator.py |
SPARC.__enter__ |
4 |
4 |
0 |
0% |
| sparc/calculator.py |
SPARC.__exit__ |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.use_socket |
1 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.socket_mode |
7 |
3 |
0 |
57% |
| sparc/calculator.py |
SPARC._indir |
1 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.log |
1 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.log |
4 |
1 |
0 |
75% |
| sparc/calculator.py |
SPARC.in_socket_filename |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.directory |
3 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.directory |
4 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.label |
3 |
1 |
0 |
67% |
| sparc/calculator.py |
SPARC.label |
4 |
4 |
0 |
0% |
| sparc/calculator.py |
SPARC.sort |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.resort |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.check_state |
13 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC._make_command |
26 |
21 |
0 |
19% |
| sparc/calculator.py |
SPARC.check_input_atoms |
21 |
1 |
0 |
95% |
| sparc/calculator.py |
SPARC.calculate |
21 |
8 |
0 |
62% |
| sparc/calculator.py |
SPARC._calculate_as_server |
9 |
9 |
0 |
0% |
| sparc/calculator.py |
SPARC._calculate_with_socket |
28 |
25 |
0 |
11% |
| sparc/calculator.py |
SPARC.get_stress |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC._check_input_exclusion |
11 |
1 |
0 |
91% |
| sparc/calculator.py |
SPARC._check_minimal_input |
5 |
2 |
0 |
60% |
| sparc/calculator.py |
SPARC._generate_inpt_state |
10 |
1 |
0 |
90% |
| sparc/calculator.py |
SPARC.write_input |
12 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.execute |
16 |
6 |
0 |
62% |
| sparc/calculator.py |
SPARC.close |
17 |
17 |
0 |
0% |
| sparc/calculator.py |
SPARC._send_mpi_signal |
22 |
22 |
0 |
0% |
| sparc/calculator.py |
SPARC._reset_process |
4 |
4 |
0 |
0% |
| sparc/calculator.py |
SPARC.pid |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.raw_results |
1 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC.raw_results |
2 |
2 |
0 |
0% |
| sparc/calculator.py |
SPARC.read_results |
3 |
0 |
0 |
100% |
| sparc/calculator.py |
SPARC._restart |
14 |
12 |
0 |
14% |
| sparc/calculator.py |
SPARC.get_fermi_level |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.detect_sparc_version |
19 |
7 |
0 |
63% |
| sparc/calculator.py |
SPARC.run_client |
3 |
3 |
0 |
0% |
| sparc/calculator.py |
SPARC.detect_socket_compatibility |
11 |
3 |
0 |
73% |
| sparc/calculator.py |
SPARC.set |
24 |
7 |
0 |
71% |
| sparc/calculator.py |
SPARC._sanitize_kwargs |
25 |
2 |
0 |
92% |
| sparc/calculator.py |
SPARC._convert_special_params |
63 |
20 |
0 |
68% |
| sparc/calculator.py |
SPARC.print_sysinfo |
8 |
2 |
0 |
75% |
| sparc/calculator.py |
SPARC.interpret_grid_input |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.interpret_kpoint_input |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.interpret_downsampling_input |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.interpret_kpoint_shift |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_pseudopotential_directory |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_nstates |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.setup_parallel_env |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.generate_command |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.estimate_memory |
23 |
23 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_scf_steps |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_geometric_steps |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_runtime |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.get_fermi_level |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.concatinate_output |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.read_line |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.parse_output |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.parse_relax |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.parse_MD |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.parse_input_args |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.recover_index_order_from_ion_file |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.atoms_dict |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
SPARC.dict_atoms |
1 |
1 |
0 |
0% |
| sparc/calculator.py |
(no function) |
129 |
0 |
0 |
100% |
| sparc/common.py |
(no function) |
4 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.__init__ |
10 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.find_main_file |
4 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.get_include_files |
12 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.parse_version |
27 |
6 |
0 |
78% |
| sparc/docparser.py |
SparcDocParser.__parse_parameter_from_frame |
22 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.__parse_frames_from_text |
3 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.__parse_intro_file |
22 |
1 |
0 |
95% |
| sparc/docparser.py |
SparcDocParser.__parse_all_included_files |
12 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.parse_parameters |
17 |
2 |
0 |
88% |
| sparc/docparser.py |
SparcDocParser.postprocess |
4 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.to_dict |
7 |
0 |
0 |
100% |
| sparc/docparser.py |
SparcDocParser.json_from_directory |
21 |
15 |
0 |
29% |
| sparc/docparser.py |
SparcDocParser.json_from_repo |
14 |
14 |
0 |
0% |
| sparc/docparser.py |
convert_tex_parameter |
1 |
0 |
0 |
100% |
| sparc/docparser.py |
convert_tex_example |
10 |
0 |
0 |
100% |
| sparc/docparser.py |
convert_tex_default |
21 |
1 |
0 |
95% |
| sparc/docparser.py |
convert_comment |
10 |
0 |
0 |
100% |
| sparc/docparser.py |
text2value |
33 |
0 |
0 |
100% |
| sparc/docparser.py |
is_array |
4 |
0 |
0 |
100% |
| sparc/docparser.py |
contain_only_bool |
8 |
0 |
0 |
100% |
| sparc/docparser.py |
sanitize_description |
8 |
0 |
0 |
100% |
| sparc/docparser.py |
sanitize_default |
6 |
0 |
0 |
100% |
| sparc/docparser.py |
sanitize_type |
38 |
5 |
0 |
87% |
| sparc/docparser.py |
(no function) |
55 |
19 |
0 |
65% |
| sparc/download_data.py |
download_psp |
22 |
4 |
0 |
82% |
| sparc/download_data.py |
checksum_all |
12 |
0 |
0 |
100% |
| sparc/download_data.py |
is_psp_download_complete |
1 |
0 |
0 |
100% |
| sparc/download_data.py |
(no function) |
17 |
2 |
0 |
88% |
| sparc/io.py |
SparcBundle.__init__ |
13 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._find_files |
1 |
1 |
0 |
0% |
| sparc/io.py |
SparcBundle._make_label |
17 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle.__find_psp_dir |
16 |
5 |
0 |
69% |
| sparc/io.py |
SparcBundle._indir |
7 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._read_ion_and_inpt |
5 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._write_ion_and_inpt |
26 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle.read_raw_results |
23 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._read_results_from_index |
19 |
1 |
0 |
95% |
| sparc/io.py |
SparcBundle.convert_to_ase |
20 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._make_singlepoint |
12 |
0 |
0 |
100% |
| sparc/io.py |
SparcBundle._extract_static_results |
40 |
6 |
0 |
85% |
| sparc/io.py |
SparcBundle._extract_geopt_results |
49 |
10 |
0 |
80% |
| sparc/io.py |
SparcBundle._extract_aimd_results |
27 |
4 |
0 |
85% |
| sparc/io.py |
SparcBundle.sort |
6 |
6 |
0 |
0% |
| sparc/io.py |
SparcBundle.resort |
6 |
1 |
0 |
83% |
| sparc/io.py |
SparcBundle.read_psp_info |
14 |
0 |
0 |
100% |
| sparc/io.py |
read_sparc |
4 |
0 |
0 |
100% |
| sparc/io.py |
write_sparc |
10 |
0 |
0 |
100% |
| sparc/io.py |
read_sparc_ion |
5 |
5 |
0 |
0% |
| sparc/io.py |
write_sparc_ion |
6 |
6 |
0 |
0% |
| sparc/io.py |
read_sparc_static |
8 |
8 |
0 |
0% |
| sparc/io.py |
read_sparc_geopt |
8 |
8 |
0 |
0% |
| sparc/io.py |
read_sparc_aimd |
8 |
8 |
0 |
0% |
| sparc/io.py |
__register_new_filetype |
8 |
8 |
0 |
0% |
| sparc/io.py |
__register_new_filetype._new_filetype |
8 |
8 |
0 |
0% |
| sparc/io.py |
register_ase_io_sparc |
35 |
35 |
0 |
0% |
| sparc/io.py |
(no function) |
80 |
11 |
0 |
86% |
| sparc/quicktest.py |
BaseTest.__init__ |
4 |
0 |
0 |
100% |
| sparc/quicktest.py |
BaseTest.dislay_name |
1 |
1 |
0 |
0% |
| sparc/quicktest.py |
BaseTest.display_docstring |
22 |
3 |
0 |
86% |
| sparc/quicktest.py |
BaseTest.make_test |
1 |
1 |
0 |
0% |
| sparc/quicktest.py |
BaseTest.run_test |
10 |
4 |
0 |
60% |
| sparc/quicktest.py |
ImportTest.make_test |
6 |
1 |
0 |
83% |
| sparc/quicktest.py |
PspTest.make_test |
28 |
9 |
0 |
68% |
| sparc/quicktest.py |
ApiTest.make_test |
13 |
5 |
0 |
62% |
| sparc/quicktest.py |
CommandTest.make_test |
29 |
13 |
0 |
55% |
| sparc/quicktest.py |
FileIOCalcTest.make_test |
14 |
3 |
0 |
79% |
| sparc/quicktest.py |
SocketCalcTest.make_test |
21 |
3 |
0 |
86% |
| sparc/quicktest.py |
main |
35 |
0 |
0 |
100% |
| sparc/quicktest.py |
(no function) |
32 |
1 |
0 |
97% |
| sparc/socketio.py |
generate_random_socket_name |
2 |
0 |
0 |
100% |
| sparc/socketio.py |
SPARCProtocol.send_string |
8 |
8 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.send_object |
14 |
14 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.recv_object |
14 |
14 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.send_param |
7 |
7 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.sendinit |
8 |
8 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.recvinit |
1 |
1 |
0 |
0% |
| sparc/socketio.py |
SPARCProtocol.calculate_new_protocol |
19 |
19 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketServer.__init__ |
7 |
1 |
0 |
86% |
| sparc/socketio.py |
SPARCSocketServer.socket_filename |
1 |
1 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketServer.proc |
3 |
1 |
0 |
67% |
| sparc/socketio.py |
SPARCSocketServer.proc |
1 |
0 |
0 |
100% |
| sparc/socketio.py |
SPARCSocketServer._accept |
7 |
7 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketServer.send_atoms_and_params |
5 |
5 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketServer.calculate_origin_protocol |
4 |
4 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketServer.calculate_new_protocol |
4 |
4 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketClient.__init__ |
4 |
4 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketClient.calculate |
3 |
3 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketClient.irun |
48 |
48 |
0 |
0% |
| sparc/socketio.py |
SPARCSocketClient.run |
4 |
4 |
0 |
0% |
| sparc/socketio.py |
(no function) |
35 |
0 |
0 |
100% |
| sparc/sparc_parsers/__init__.py |
(no function) |
0 |
0 |
0 |
100% |
| sparc/sparc_parsers/aimd.py |
_read_aimd |
7 |
0 |
0 |
100% |
| sparc/sparc_parsers/aimd.py |
_read_aimd_step |
85 |
10 |
0 |
88% |
| sparc/sparc_parsers/aimd.py |
_write_aimd |
1 |
1 |
0 |
0% |
| sparc/sparc_parsers/aimd.py |
(no function) |
11 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
atoms_to_dict |
48 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
dict_to_atoms |
39 |
2 |
0 |
95% |
| sparc/sparc_parsers/atoms.py |
count_symbols |
12 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
constraints_from_relax |
23 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
relax_from_constraint |
16 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
relax_from_all_constraints |
9 |
0 |
0 |
100% |
| sparc/sparc_parsers/atoms.py |
modify_atoms_bc |
16 |
1 |
0 |
94% |
| sparc/sparc_parsers/atoms.py |
atoms_bc_to_sparc |
14 |
2 |
0 |
86% |
| sparc/sparc_parsers/atoms.py |
(no function) |
18 |
0 |
0 |
100% |
| sparc/sparc_parsers/geopt.py |
_read_geopt |
6 |
0 |
0 |
100% |
| sparc/sparc_parsers/geopt.py |
_read_geopt_step |
57 |
8 |
0 |
86% |
| sparc/sparc_parsers/geopt.py |
_write_geopt |
1 |
1 |
0 |
0% |
| sparc/sparc_parsers/geopt.py |
(no function) |
12 |
0 |
0 |
100% |
| sparc/sparc_parsers/inpt.py |
_read_inpt |
4 |
0 |
0 |
100% |
| sparc/sparc_parsers/inpt.py |
_write_inpt |
22 |
2 |
0 |
91% |
| sparc/sparc_parsers/inpt.py |
_inpt_cell_to_ase_cell |
17 |
1 |
0 |
94% |
| sparc/sparc_parsers/inpt.py |
(no function) |
11 |
0 |
0 |
100% |
| sparc/sparc_parsers/ion.py |
InvalidSortingComment.__init__ |
1 |
0 |
0 |
100% |
| sparc/sparc_parsers/ion.py |
_read_ion |
6 |
0 |
0 |
100% |
| sparc/sparc_parsers/ion.py |
_write_ion |
36 |
1 |
0 |
97% |
| sparc/sparc_parsers/ion.py |
_ion_coord_to_ase_pos |
15 |
1 |
0 |
93% |
| sparc/sparc_parsers/ion.py |
_read_sort_comment |
26 |
1 |
0 |
96% |
| sparc/sparc_parsers/ion.py |
(no function) |
16 |
0 |
0 |
100% |
| sparc/sparc_parsers/out.py |
_read_out |
7 |
0 |
0 |
100% |
| sparc/sparc_parsers/out.py |
_read_sparc_version |
15 |
5 |
0 |
67% |
| sparc/sparc_parsers/out.py |
_read_input_params |
3 |
0 |
0 |
100% |
| sparc/sparc_parsers/out.py |
_read_run_info |
14 |
0 |
0 |
100% |
| sparc/sparc_parsers/out.py |
_read_scfs |
75 |
6 |
0 |
92% |
| sparc/sparc_parsers/out.py |
_get_block_text |
7 |
0 |
0 |
100% |
| sparc/sparc_parsers/out.py |
_write_out |
1 |
1 |
0 |
0% |
| sparc/sparc_parsers/out.py |
(no function) |
18 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
NotPSP8Format.__init__ |
1 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
NoMatchingPseudopotential.__init__ |
1 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
MultiplePseudoPotentialFiles.__init__ |
1 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
parse_psp8_header |
29 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
infer_pseudo_path |
18 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
copy_psp_file |
10 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
find_pseudo_path |
15 |
0 |
0 |
100% |
| sparc/sparc_parsers/pseudopotential.py |
(no function) |
17 |
0 |
0 |
100% |
| sparc/sparc_parsers/static.py |
_read_static |
8 |
0 |
0 |
100% |
| sparc/sparc_parsers/static.py |
_read_static_block |
36 |
6 |
0 |
83% |
| sparc/sparc_parsers/static.py |
_read_static_step |
43 |
3 |
0 |
93% |
| sparc/sparc_parsers/static.py |
_add_cell_info |
14 |
1 |
0 |
93% |
| sparc/sparc_parsers/static.py |
_write_static |
1 |
1 |
0 |
0% |
| sparc/sparc_parsers/static.py |
(no function) |
13 |
0 |
0 |
100% |
| sparc/sparc_parsers/utils.py |
get_label |
1 |
1 |
0 |
0% |
| sparc/sparc_parsers/utils.py |
strip_comments |
9 |
0 |
0 |
100% |
| sparc/sparc_parsers/utils.py |
bisect_and_strip |
2 |
0 |
0 |
100% |
| sparc/sparc_parsers/utils.py |
read_block_input |
31 |
0 |
0 |
100% |
| sparc/sparc_parsers/utils.py |
make_reverse_mapping |
4 |
0 |
0 |
100% |
| sparc/sparc_parsers/utils.py |
(no function) |
6 |
0 |
0 |
100% |
| sparc/utils.py |
deprecated |
2 |
0 |
0 |
100% |
| sparc/utils.py |
deprecated.decorator |
2 |
0 |
0 |
100% |
| sparc/utils.py |
deprecated.decorator.new_func |
2 |
2 |
0 |
0% |
| sparc/utils.py |
compare_dict |
6 |
2 |
0 |
67% |
| sparc/utils.py |
string2index |
14 |
5 |
0 |
64% |
| sparc/utils.py |
_find_default_sparc |
13 |
13 |
0 |
0% |
| sparc/utils.py |
h2gpts |
5 |
5 |
0 |
0% |
| sparc/utils.py |
cprint |
13 |
2 |
0 |
85% |
| sparc/utils.py |
sanitize_path |
5 |
0 |
0 |
100% |
| sparc/utils.py |
locate_api |
29 |
7 |
0 |
76% |
| sparc/utils.py |
time_limit |
6 |
6 |
0 |
0% |
| sparc/utils.py |
time_limit.signal_handler |
1 |
1 |
0 |
0% |
| sparc/utils.py |
monitor_process |
10 |
10 |
0 |
0% |
| sparc/utils.py |
monitor_process.signal_handler |
1 |
1 |
0 |
0% |
| sparc/utils.py |
monitor_process.check_process |
8 |
8 |
0 |
0% |
| sparc/utils.py |
_find_mpi_process |
32 |
32 |
0 |
0% |
| sparc/utils.py |
_get_slurm_jobid |
4 |
4 |
0 |
0% |
| sparc/utils.py |
_locate_slurm_step |
24 |
24 |
0 |
0% |
| sparc/utils.py |
_slurm_signal |
9 |
9 |
0 |
0% |
| sparc/utils.py |
_run_process |
9 |
9 |
0 |
0% |
| sparc/utils.py |
(no function) |
41 |
0 |
0 |
100% |