| Miscellaneous |
| Version lineage of this tool (guids ordered most recent to oldest) |
| toolshed.g2.bx.psu.edu/repos/muon-spectroscopy-computational-project/muspinsim_config/muspinsim_config/2.2.1+galaxy0 (this tool) |
| toolshed.g2.bx.psu.edu/repos/muon-spectroscopy-computational-project/muspinsim_config/muspinsim_config/2.0.2+galaxy0 |
| toolshed.g2.bx.psu.edu/repos/muon-spectroscopy-computational-project/muspinsim_config/muspinsim_config/1.1.0+galaxy0 |
| muspinsim_config |
| Requirements (dependencies defined in the <requirements> tag set) |
| name | version | type |
| muspinsim | 2.2.1 | package |
| Functional tests |
| name | inputs | outputs | required files |
| Test-1 |
out_file_prefix: test_1 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_1|spin_options|spin: H use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: custom use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_index: 2 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_vector: 2 0 0 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: zeeman use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_index: 1 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_vector: 1 0 0 use_structure_file_conditional|use_structure_file: false experiment_params|experiment|average_axes: orientation |
name: value |
value |
| Test-2 |
out_file_prefix: test_2 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: e use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_index: 1 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_matrix: [1 0 0 sin(10) (5*2) 0 10*pi 5 cos(20)] use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: hyperfine use_structure_file_conditional|use_structure_file: false experiment_params|experiment|axes_options|x_axis_options|x_axis: time experiment_params|experiment|axes_options|y_axis: asymmetry experiment_params|experiment|times_0|time: range(0, 0.1) experiment_params|experiment|fields_0|field: 1.0 experiment_params|experiment|temperatures_0|temperature: 1.0 experiment_params|experiment|experiment_preset: custom |
name: value |
value |
| Test-3 |
out_file_prefix: test_3 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: e use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_2|spin_options|spin: H use_structure_file_conditional|spins|spins_2|spin_options|spin_preset: custom use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_index: 3 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_matrix: [(300/2) 3 4*10 ], [3 15*10 6-3+2] ,[4 5 15 ] use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: hyperfine use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_index: 2 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_matrix: [580 5 10 5 580 9 10 9 580] use_structure_file_conditional|interaction_params|interactions_1|interaction_options|interaction: hyperfine use_structure_file_conditional|use_structure_file: false experiment_params|experiment|average_axes: ['orientation', 'temperature'] experiment_params|experiment|fields_0|field: range(1.8, 2.6, 100) experiment_params|experiment|orientations_0|orientation_options|zcw_n: 20 experiment_params|experiment|orientations_0|orientation_options|orientation_preset: zcw experiment_params|experiment|experiment_preset: alc |
name: value |
value |
| Test-4 |
out_file_prefix: test_4 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_1|spin_options|spin: F use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: custom use_structure_file_conditional|spins|spins_2|spin_options|spin: F use_structure_file_conditional|spins|spins_2|spin_options|spin_preset: custom use_structure_file_conditional|interaction_params|interactions_0|interaction_options|dis_index: 1 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|dis_val: 0.5 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: dissipation use_structure_file_conditional|interaction_params|interactions_1|interaction_options|di_index: 1 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|di_index_2: 3 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|di_vector: -0.9 -0.9 0 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|interaction: dipolar use_structure_file_conditional|interaction_params|interactions_2|interaction_options|di_index: 1 use_structure_file_conditional|interaction_params|interactions_2|interaction_options|di_index_2: 2 use_structure_file_conditional|interaction_params|interactions_2|interaction_options|di_vector: 0.9 0.9 0 use_structure_file_conditional|interaction_params|interactions_2|interaction_options|interaction: dipolar use_structure_file_conditional|use_structure_file: false experiment_params|experiment|axes_options|x_axis_options|average_axes: experiment_params|experiment|times_0|time: range(0,1.0) experiment_params|experiment|times_1|time: range(0,8.0,1000) experiment_params|experiment|fields_0|field: 0.01 experiment_params|experiment|fields_1|field: 1.5e-2 1.0e-2 1.0e-2 experiment_params|experiment|intrinsic_fields_0|intrinsic_field: 0.02 experiment_params|experiment|intrinsic_fields_1|intrinsic_field: 1.6e-2 1.1e-2 1.1e-2 experiment_params|experiment|polarizations_0|polarization_options|polarization: 1 0 0 experiment_params|experiment|polarizations_0|polarization_options|polarization_preset: custom experiment_params|experiment|orientations_0|orientation_options|eul_n: 10 experiment_params|experiment|orientations_0|orientation_options|orientation_preset: eulrange experiment_params|experiment|celio_params|celio_options|celio_k: 10 experiment_params|experiment|celio_params|celio_options|celio_enabled: true experiment_params|experiment|experiment_preset: custom |
name: value |
value |
| Test-5 |
out_file_prefix: test_5 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|interaction_params|interactions_0|interaction_options|dis_index: 1 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|dis_val: g use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: dissipation use_structure_file_conditional|use_structure_file: false experiment_params|experiment|fields_0|field: 1.0/muon_gyr experiment_params|experiment|intrinsic_fields_0|intrinsic_field: 2.0/muon_gyr experiment_params|experiment|celio_params|celio_options|celio_k: 10 experiment_params|experiment|celio_params|celio_options|celio_averages: 4 experiment_params|experiment|celio_params|celio_options|celio_enabled: true experiment_params|experiment|experiment_preset: custom fitting_params|fitting_options|fitting_variables_0|var_name: g fitting_params|fitting_options|fitting_variables_0|min_bound: 0.0 fitting_params|fitting_options|fitting_tolerance: 1.0 fitting_params|fitting_options|fitting: true |
name: value |
value |
| Test-6 |
out_file_prefix: test_6 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_1|spin_options|spin: H use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: custom use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_index: 2 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_vector: 2 0 0 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: zeeman use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_index: 1 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_vector: 1 0 0 use_structure_file_conditional|use_structure_file: false experiment_params|experiment|average_axes: ['orientation', 'temperature'] experiment_params|experiment|experiment_preset: zero_field |
name: value |
value |
| Test-7 |
out_file_prefix: test_7 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: mu use_structure_file_conditional|spins|spins_1|spin_options|spin: H use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: custom use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_index: 2 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|zeeman_vector: 2 0 0 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: zeeman use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_index: 1 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|zeeman_vector: 1 0 0 use_structure_file_conditional|use_structure_file: false experiment_params|experiment|axes_options|x_axis: field experiment_params|experiment|axes_options|average_axes: ['orientation', 'temperature'] experiment_params|experiment|axes_options|y_axis: integral experiment_params|experiment|experiment_preset: custom |
name: value |
value |
| Test-8 |
out_file_prefix: test_8 use_structure_file_conditional|generator|structure_file: Basic.cell use_structure_file_conditional|use_structure_file: true experiment_params|experiment|times_0|time: range(0,8.0,1000) experiment_params|experiment|experiment_preset: custom |
name: value |
Basic.cell value |
| Test-9 |
out_file_prefix: test_9 use_structure_file_conditional|generator|structure_file: Basic.magres use_structure_file_conditional|generator|number_closest: 8 use_structure_file_conditional|generator|dipolar: True use_structure_file_conditional|generator|quadrupolar: False use_structure_file_conditional|generator|include_interatomic: False use_structure_file_conditional|generator|ignored_symbols_0|ignored_symbol: Si use_structure_file_conditional|use_structure_file: true experiment_params|experiment|times_0|time: range(0,8.0,1000) experiment_params|experiment|experiment_preset: custom |
name: value |
Basic.magres value |
| Test-10 |
out_file_prefix: test_10 use_structure_file_conditional|generator|structure_file: Basic.magres use_structure_file_conditional|generator|dipolar: True use_structure_file_conditional|generator|quadrupolar: True use_structure_file_conditional|generator|include_interatomic: True use_structure_file_conditional|generator|ignored_symbols_0|ignored_symbol: Si use_structure_file_conditional|use_structure_file: true experiment_params|experiment|times_0|time: range(0,8.0,1000) experiment_params|experiment|experiment_preset: custom |
name: value |
Basic.magres value |
| Test-11 |
out_file_prefix: test_11 use_structure_file_conditional|generator|structure_file: Basic.magres use_structure_file_conditional|generator|dipolar: True use_structure_file_conditional|generator|quadrupolar: True use_structure_file_conditional|generator|include_interatomic: False use_structure_file_conditional|generator|ignored_symbols_0|ignored_symbol: Si use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_index: 3 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_matrix: [(300/2) 3 4*10 ], [3 15*10 6-3+2] ,[4 5 15 ] use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: hyperfine use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_index: 2 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_matrix: [580 5 10 5 580 9 10 9 580] use_structure_file_conditional|interaction_params|interactions_1|interaction_options|interaction: hyperfine use_structure_file_conditional|use_structure_file: true experiment_params|experiment|times_0|time: range(0,8.0,1000) experiment_params|experiment|experiment_preset: custom |
name: value |
Basic.magres value |
| Test-12 |
out_file_prefix: test_12 use_structure_file_conditional|generator|structure_file: Basic.magres use_structure_file_conditional|generator|dipolar: True use_structure_file_conditional|generator|quadrupolar: True use_structure_file_conditional|generator|include_interatomic: False use_structure_file_conditional|generator|ignored_symbols_0|ignored_symbol: Si use_structure_file_conditional|spins|spins_0|spin_options|spin: F use_structure_file_conditional|spins|spins_0|spin_options|atomic_mass: 19 use_structure_file_conditional|spins|spins_0|spin_options|spin_preset: custom use_structure_file_conditional|spins|spins_1|spin_options|spin_preset: e use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_index: 3 use_structure_file_conditional|interaction_params|interactions_0|interaction_options|hfine_matrix: [(300/2) 3 4*10 ], [3 15*10 6-3+2] ,[4 5 15 ] use_structure_file_conditional|interaction_params|interactions_0|interaction_options|interaction: hyperfine use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_index: 2 use_structure_file_conditional|interaction_params|interactions_1|interaction_options|hfine_matrix: [580 5 10 5 580 9 10 9 580] use_structure_file_conditional|interaction_params|interactions_1|interaction_options|interaction: hyperfine use_structure_file_conditional|use_structure_file: true experiment_params|experiment|times_0|time: range(0,8.0,1000) experiment_params|experiment|experiment_preset: custom |
name: value |
Basic.magres value |