├── .editorconfig ├── .gitignore ├── .vampire_git_branches ├── BSD_licence ├── Co.mat ├── hdr ├── LLG.hpp ├── anisotropy.hpp ├── atoms.hpp ├── category.hpp ├── cells.hpp ├── config.hpp ├── constants.hpp ├── create.hpp ├── create_atoms_class.hpp ├── cuda.hpp ├── demag.hpp ├── dipole.hpp ├── environment.hpp ├── errors.hpp ├── exchange.hpp ├── exchange_types.hpp ├── gpu.hpp ├── grains.hpp ├── hamr.hpp ├── hierarchical.hpp ├── info.hpp ├── ltmp.hpp ├── material.hpp ├── micromagnetic.hpp ├── montecarlo.hpp ├── mtrand.hpp ├── neighbours.hpp ├── program.hpp ├── random.hpp ├── sim.hpp ├── spintorque.hpp ├── spintransport.hpp ├── stats.hpp ├── stopwatch.hpp ├── unitcell.hpp ├── units.hpp ├── vio.hpp ├── vmath.hpp ├── vmpi.hpp ├── vopencl.hpp ├── voronoi.hpp └── vutil.hpp ├── input ├── license ├── makefile ├── manual ├── .gitignore ├── 1-BackgroundTheory │ └── Chapter.tex ├── 2-Installation │ └── Chapter.tex ├── 3-GettingStarted │ └── Chapter.tex ├── 5-Visualization │ └── Chapter.tex ├── InputFileCommandReference │ └── Chapter.tex ├── MaterialFileCommandReference │ └── Chapter.tex ├── Preface │ └── preface.tex ├── Title │ └── title.tex ├── chapter-template │ └── Chapter.tex ├── figures │ ├── BWR_colourmap.jpg │ ├── C2_colourmap.jpg │ ├── CBWR_colourmap.jpg │ ├── Rainbow_colourmap.jpg │ ├── core-shell.pdf │ ├── logo5.png │ └── multilayers.pdf ├── unit-cell-file │ └── Chapter.tex ├── vampire-manual.tex ├── xbib.bib └── xtocinc.sty ├── obj ├── .gitignore ├── anisotropy │ └── .gitignore ├── cells │ └── .gitignore ├── config │ └── .gitignore ├── constants │ └── .gitignore ├── create │ └── .gitignore ├── cuda │ └── .gitignore ├── data │ └── .gitignore ├── dipole │ └── .gitignore ├── environment │ └── .gitignore ├── exchange │ └── .gitignore ├── gpu │ └── .gitignore ├── hamr │ └── .gitignore ├── hierarchical │ └── .gitignore ├── ltmp │ └── .gitignore ├── main │ └── .gitignore ├── micromagnetic │ ├── .gitignore │ └── z.cpp ├── montecarlo │ └── .gitignore ├── mpi │ └── .gitignore ├── neighbours │ └── .gitignore ├── opencl │ └── .gitignore ├── program │ └── .gitignore ├── qvoronoi │ └── .gitignore ├── random │ └── .gitignore ├── simulate │ └── .gitignore ├── spintorque │ └── .gitignore ├── spintransport │ └── .gitignore ├── statistics │ └── .gitignore ├── unitcell │ └── .gitignore ├── utility │ └── .gitignore └── vio │ └── .gitignore ├── readme.md ├── samples ├── MAT.mat ├── UC.ucf ├── mat │ ├── Co.mat │ └── readme ├── mat0.geo └── mat1.geo ├── src ├── anisotropy │ ├── biaxial_fourth_order_simple.cpp │ ├── cubic_fourth_order.cpp │ ├── cubic_fourth_order_rotation.cpp │ ├── cubic_sixth_order.cpp │ ├── data.cpp │ ├── energy.cpp │ ├── fields.cpp │ ├── get_anisotropy.cpp │ ├── identify_surface_atoms.cpp │ ├── initialize.cpp │ ├── initialize_neel.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── lattice.cpp │ ├── makefile │ ├── neel.cpp │ ├── random_grain.cpp │ ├── readme │ ├── rotational_fixed_basis.cpp │ ├── triaxial_fixed_basis.cpp │ ├── triaxial_rotational.cpp │ ├── uniaxial_fourth_order.cpp │ ├── uniaxial_second_order.cpp │ └── uniaxial_sixth_order.cpp ├── cells │ ├── data.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── mag.cpp │ └── makefile ├── config │ ├── atoms_coords.cpp │ ├── atoms_non_magnetic.cpp │ ├── atoms_spins.cpp │ ├── buffer.cpp │ ├── config.cpp │ ├── data.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── legacy.cpp │ ├── makefile │ ├── meta.cpp │ ├── write.cpp │ └── write_coords.cpp ├── constants │ ├── constants.cpp │ └── makefile ├── create │ ├── alloy.cpp │ ├── bubble.cpp │ ├── bulk.cpp │ ├── centre_particle.cpp │ ├── compare_radius.cpp │ ├── composition.cpp │ ├── cone.cpp │ ├── create.cpp │ ├── cs_set_atom_vars2.cpp │ ├── cube.cpp │ ├── cylinder.cpp │ ├── data.cpp │ ├── ellipse.cpp │ ├── ellipsoid.cpp │ ├── faceted.cpp │ ├── generate_crystal.cpp │ ├── geometry.cpp │ ├── get_material_height.cpp │ ├── hexagonal_array.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── layers.cpp │ ├── makefile │ ├── mpi.cpp │ ├── multilayers.cpp │ ├── particle.cpp │ ├── point_in_polygon.cpp │ ├── roughness.cpp │ ├── sort_atoms_by_grain.cpp │ ├── sphere.cpp │ ├── square_array.cpp │ ├── system_type.cpp │ ├── teardrop.cpp │ ├── truncated_octahedron.cpp │ ├── voronoi.cpp │ ├── voronoi_grain_rounding.cpp │ ├── voronoi_substructure.cpp │ ├── voronoi_vertex_points.cpp │ └── write_grain_vertices.cpp ├── cuda │ ├── config.cu │ ├── cuda_timer.h │ ├── cuda_utils.hpp │ ├── data.cu │ ├── data.hpp │ ├── dipole.cu │ ├── exchange_fields.cu │ ├── exchange_fields.hpp │ ├── external_fields.cu │ ├── finalize.cu │ ├── hamr_fields.cu │ ├── initialize.cu │ ├── internal.cu │ ├── internal.hpp │ ├── llg_heun.cu │ ├── llg_heun.hpp │ ├── makefile │ ├── monte_carlo.cu │ ├── monte_carlo.hpp │ ├── spin_fields.cu │ ├── spin_fields.hpp │ ├── statistics.cu │ ├── statistics.hpp │ ├── thermal_fields.cu │ ├── thermal_fields.hpp │ ├── transfer.cu │ └── typedefs.hpp ├── data │ ├── atoms.cpp │ ├── category.cpp │ ├── cells.cpp │ └── grains.cpp ├── dipole │ ├── atomistic.cpp │ ├── data.cpp │ ├── energy.cpp │ ├── fft_atomistic.cpp │ ├── fft_macrocell.cpp │ ├── fft_update.cpp │ ├── fft_update2.cpp │ ├── field.cpp │ ├── get_cells_properties.cpp │ ├── get_tensor.cpp │ ├── info.cpp │ ├── initialize.cpp │ ├── inter.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── intra.cpp │ ├── macrocell.cpp │ ├── makefile │ ├── memory.cpp │ ├── mpi.cpp │ ├── mpi2.cpp │ ├── output_atomistic_field.cpp │ ├── tensor.cpp │ └── update.cpp ├── environment │ ├── LLB.cpp │ ├── calculate_chi_para.cpp │ ├── calculate_chi_perp.cpp │ ├── corners.cpp │ ├── corners0.cpp │ ├── data.cpp │ ├── demag.cpp │ ├── fieldsLLB.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── makefile │ ├── output.cpp │ ├── shields.cpp │ └── shields2.cpp ├── exchange │ ├── biquadratic_energy.cpp │ ├── biquadratic_fields.cpp │ ├── data.cpp │ ├── dmi.cpp │ ├── energy.cpp │ ├── exchange_fields.cpp │ ├── fields.cpp │ ├── four_spin_energy.cpp │ ├── four_spin_fields.cpp │ ├── get_exchange_type.cpp │ ├── initialize.cpp │ ├── initialize_biquadratic.cpp │ ├── initialize_four_spin.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── kitaev.cpp │ ├── makefile │ ├── unroll.cpp │ ├── unroll_normalised.cpp │ └── unroll_normalised_biquadratic.cpp ├── gpu │ ├── config.cpp │ ├── data.cpp │ ├── finalize.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── llg_heun.cpp │ ├── makefile │ ├── monte_carlo.cpp │ ├── statistics.cpp │ ├── transfer.cpp │ └── update.cpp ├── hamr │ ├── bit_sequence.cpp │ ├── data.cpp │ ├── field_profiles.cpp │ ├── fields.cpp │ ├── get_hamr_variables.cpp │ ├── hamr_continuous.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── makefile │ └── temp_profiles.cpp ├── hierarchical │ ├── corners.cpp │ ├── data.cpp │ ├── initialize.cpp │ ├── inter.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── intra.cpp │ ├── mag.cpp │ ├── makefile │ └── update.cpp ├── ltmp │ ├── absorption_profile.cpp │ ├── data.cpp │ ├── field.cpp │ ├── initialise.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── is_enabled.cpp │ ├── local_temperature_gradient.cpp │ ├── local_temperature_pulse.cpp │ ├── makefile │ └── output.cpp ├── main │ ├── command.cpp │ ├── githash.cpp │ ├── initialise_variables.cpp │ ├── internal.hpp │ ├── main.cpp │ ├── makefile │ ├── material.cpp │ └── version.cpp ├── micromagnetic │ ├── atomistic_llg_heun.cpp │ ├── bias_magnets.cpp │ ├── calculate_A.cpp │ ├── calculate_alpha.cpp │ ├── calculate_chi_para.cpp │ ├── calculate_chi_perp.cpp │ ├── calculate_gamma.cpp │ ├── calculate_ku.cpp │ ├── calculate_ms.cpp │ ├── calculate_stt.cpp │ ├── calculate_tc.cpp │ ├── data.cpp │ ├── fieldsllb.cpp │ ├── fieldsllg.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── makefile │ ├── micromagnetic_llb.cpp │ ├── micromagnetic_llg.cpp │ ├── output.cpp │ ├── print.cpp │ └── resistance.cpp ├── montecarlo │ ├── cmc.cpp │ ├── cmc_mc.cpp │ ├── data.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── makefile │ ├── masked_cmc_mc.cpp │ ├── mc-mpi.cpp │ ├── mc.cpp │ ├── mc_moves.cpp │ └── monte_carlo_preconditioning.cpp ├── mpi │ ├── LLGHeun-mpi.cpp │ ├── LLGMidpoint-mpi.cpp │ ├── data.cpp │ ├── decomposition.cpp │ ├── makefile │ ├── mpi_comms.cpp │ ├── mpi_generic.cpp │ ├── parallel_rng_seed.cpp │ └── wrapper.cpp ├── neighbours │ ├── clear.cpp │ ├── data.cpp │ ├── generate.cpp │ └── makefile ├── opencl │ ├── build_kernels.cpp │ ├── cl │ │ ├── cl_defs.h │ │ ├── csrmatmul.cl │ │ ├── dipole.cl │ │ ├── external_fields.cl │ │ ├── llg_heun.cl │ │ ├── material_type.h │ │ ├── random.cl │ │ └── spin_fields.cl │ ├── config.cpp │ ├── data.cpp │ ├── data.hpp │ ├── debug.hpp │ ├── dipole.cpp │ ├── finalize.cpp │ ├── init_kernels.cpp │ ├── init_kernels.hpp │ ├── initialize.cpp │ ├── internal.hpp │ ├── kernels.hpp │ ├── llg_heun.cpp │ ├── llg_heun.hpp │ ├── makefile │ ├── opencl_include.hpp │ ├── opencl_utils.cpp │ ├── opencl_utils.hpp │ ├── statistics.cpp │ ├── statistics.hpp │ └── typedefs.hpp ├── program │ ├── LLB_Boltzmann.cpp │ ├── benchmark.cpp │ ├── cmc_anisotropy.cpp │ ├── curie_temperature.cpp │ ├── data.cpp │ ├── diagnostics.cpp │ ├── disk_tracks.cpp │ ├── domain_wall.cpp │ ├── effective_damping.cpp │ ├── electrical_pulse.cpp │ ├── exchange_stiffness.cpp │ ├── field_cool.cpp │ ├── field_sweep.cpp │ ├── fmr.cpp │ ├── hamr.cpp │ ├── hybrid_cmc.cpp │ ├── hysteresis.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── lagrange.cpp │ ├── local_field_cool.cpp │ ├── localised_temperature_pulse.cpp │ ├── makefile │ ├── micromagnetic_A_calculation.cpp │ ├── partial_hysteresis.cpp │ ├── setting.cpp │ ├── static_hysteresis.cpp │ ├── temperature_pulse.cpp │ └── time_series.cpp ├── qvoronoi │ ├── geom.cpp │ ├── geom.hpp │ ├── geom2.cpp │ ├── global.cpp │ ├── io.cpp │ ├── io.hpp │ ├── libqhull.cpp │ ├── libqhull.hpp │ ├── makefile │ ├── mem.cpp │ ├── mem.hpp │ ├── merge.cpp │ ├── merge.hpp │ ├── poly.cpp │ ├── poly.hpp │ ├── poly2.cpp │ ├── qhrandom.cpp │ ├── qhrandom.hpp │ ├── qhull-exports.def │ ├── qhull_a.hpp │ ├── qset.cpp │ ├── qset.hpp │ ├── qvoronoi.cpp │ ├── qvoronoi.hpp │ ├── rboxlib.cpp │ ├── stat.cpp │ ├── stat.hpp │ ├── user.cpp │ ├── user.hpp │ ├── usermem.cpp │ ├── userprintf.cpp │ └── userprintf_rbox.cpp ├── random │ ├── mtrand.cpp │ └── random.cpp ├── simulate │ ├── LLB.cpp │ ├── LLGHeun.cpp │ ├── LLGMidpoint.cpp │ ├── data.cpp │ ├── energy.cpp │ ├── fields.cpp │ ├── increment_time.cpp │ ├── initialize.cpp │ ├── initialize_modules.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── llg_quantum.cpp │ ├── makefile │ ├── sim.cpp │ └── standard_programs.cpp ├── spintorque │ ├── data.cpp │ ├── field.cpp │ ├── initialise.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── magnetization.cpp │ ├── makefile │ ├── matrix.cpp │ ├── output.cpp │ └── spinaccumulation.cpp ├── spintransport │ ├── data.cpp │ ├── field.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── magnetization.cpp │ ├── makefile │ ├── resistance.cpp │ ├── update.cpp │ └── voltage.cpp ├── statistics │ ├── binder_cumulant.cpp │ ├── data.cpp │ ├── energy.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── magnetization.cpp │ ├── makefile │ ├── reset.cpp │ ├── specific_heat.cpp │ ├── spin_temperature.cpp │ ├── standard_deviation.cpp │ ├── susceptibility.cpp │ ├── torque.cpp │ └── update.cpp ├── unitcell │ ├── bcc.cpp │ ├── bcc110.cpp │ ├── data.cpp │ ├── exchange.cpp │ ├── fcc.cpp │ ├── fcc111.cpp │ ├── file.cpp │ ├── hcp.cpp │ ├── heusler.cpp │ ├── honeycomb-a.cpp │ ├── honeycomb-b.cpp │ ├── honeycomb.cpp │ ├── initialize.cpp │ ├── interactions.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── kagome.cpp │ ├── makefile │ ├── mn2au.cpp │ ├── nd2fe14b.cpp │ ├── normalise.cpp │ ├── read.cpp │ ├── read_interactions.cpp │ ├── rocksalt.cpp │ ├── sc.cpp │ ├── set_exchange_type.cpp │ ├── shells.cpp │ ├── smfe12n.cpp │ ├── spinel-layered.cpp │ ├── spinel.cpp │ └── verify.cpp ├── utility │ ├── checkpoint.cpp │ ├── errors.cpp │ ├── statistics.cpp │ ├── units.cpp │ └── vmath.cpp └── vio │ ├── check.cpp │ ├── data.cpp │ ├── datalog.cpp │ ├── get_string.cpp │ ├── globalio.cpp │ ├── grain.cpp │ ├── initialize.cpp │ ├── interface.cpp │ ├── internal.hpp │ ├── makefile │ ├── match.cpp │ ├── match_grain_list.cpp │ ├── nullify.cpp │ ├── outputfunctions.cpp │ ├── read.cpp │ ├── string_to_x.cpp │ └── timestamp.cpp ├── test ├── integration │ ├── data │ │ ├── crystals │ │ │ ├── fcc │ │ │ │ ├── Co.mat │ │ │ │ └── input │ │ │ └── sc │ │ │ │ ├── Co.mat │ │ │ │ └── input │ │ ├── dynamics │ │ │ └── heun │ │ │ │ ├── Co.mat │ │ │ │ └── input │ │ ├── older │ │ │ ├── cuda │ │ │ │ ├── curie-temperature │ │ │ │ │ ├── Co.mat │ │ │ │ │ └── input │ │ │ │ ├── tensor-exchange │ │ │ │ │ ├── Co.mat │ │ │ │ │ └── input │ │ │ │ └── timeseries │ │ │ │ │ ├── Co.mat │ │ │ │ │ └── input │ │ │ ├── curie-temperature │ │ │ │ ├── Co.mat │ │ │ │ └── input │ │ │ ├── dipole │ │ │ │ └── hierarchical │ │ │ │ │ ├── Co.mat │ │ │ │ │ ├── dipole-field │ │ │ │ │ └── input │ │ │ ├── physical │ │ │ │ ├── AppliedField │ │ │ │ │ ├── Co.mat │ │ │ │ │ ├── applied_field_errors.py │ │ │ │ │ └── input │ │ │ │ ├── Thermal │ │ │ │ │ ├── Co.mat │ │ │ │ │ ├── boltzmann_distribution.py │ │ │ │ │ └── input │ │ │ │ └── run_tests.sh │ │ │ └── time-series │ │ │ │ ├── Co.mat │ │ │ │ └── input │ │ └── structure │ │ │ └── core-shell │ │ │ ├── Co.mat │ │ │ └── input │ ├── makefile │ ├── obj │ │ └── .gitignore │ └── src │ │ ├── exchange.cpp │ │ ├── integrator.cpp │ │ ├── internal.hpp │ │ ├── main.cpp │ │ ├── structure.cpp │ │ └── utilities.cpp └── unit │ ├── makefile │ ├── obj │ └── utility │ │ └── .gitignore │ └── src │ ├── unit_tests.cpp │ ├── unit_tests.hpp │ └── utility │ ├── units_test.cpp │ ├── utility_test.cpp │ └── utility_test.hpp ├── tests.sh └── util ├── .gitignore ├── cfg2povray.cpp ├── cfg2rasmol.cpp ├── cfg2vtk.cpp ├── cudarun ├── compile.sh ├── go.sh ├── run.sh ├── vcompile.sh ├── vexecute.sh └── vrun.sh ├── exchange-template.cpp ├── initialise_new_vampire_module.cpp ├── kT.cpp ├── ocl_devices.cpp ├── povray_colours ├── blue_gold.inc ├── color_wheel.inc ├── jet.inc └── purple_white.inc ├── ucf2cpp.cpp ├── unit-cell-creator.cpp ├── unitcell └── Unit_Cell_RDF_Analysis.cpp └── vdc ├── .gitignore ├── atoms.cpp ├── cells.cpp ├── colour.cpp ├── colourmaps.cpp ├── command.cpp ├── coords.cpp ├── data.cpp ├── functions.cpp ├── grains.cpp ├── main.cpp ├── makefile ├── non_magnetic.cpp ├── obj └── .gitignore ├── povray-cells.cpp ├── povray.cpp ├── read.cpp ├── spins.cpp ├── ssc.cpp ├── sticks.cpp ├── text.cpp ├── vdc.hpp ├── vtk.cpp └── xyz.cpp /.editorconfig: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/richard-evans/vampire/HEAD/.editorconfig -------------------------------------------------------------------------------- /.gitignore: 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