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indent.EAM.xml

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  1 <?xml version="1.0" encoding="UTF-8"?>
  2 <tahoe author="paklein" geometry_file="geometry/fcc_Per_3D.geom"
  3     title="Test EAM Potential - QuasiStatics - indenter" xmlns:x0="http://www.w3.org/2001/XMLSchema">
  4     <spatial_decomposition n_1="2" n_2="2" n_3="1"/>
  5     <time max_step_cuts="5" num_steps="3" output_inc="1" time_step="0.1">
  6         <schedule_function>
  7             <piecewise_linear>
  8                 <OrderedPair x="0.0" y="0.0"/>
  9                 <OrderedPair x="1.0" y="1.0"/>
 10             </piecewise_linear>
 11         </schedule_function>
 12     </time>
 13     <nodes>
 14         <field field_name="displacement">
 15             <dof_labels>
 16                 <String value="D_X"/>
 17                 <String value="D_Y"/>
 18                 <String value="D_Z"/>
 19             </dof_labels>
 20             <kinematic_BC dof="1" node_ID="1"/>
 21             <kinematic_BC dof="2" node_ID="1"/>
 22             <kinematic_BC dof="3" node_ID="1"/>
 23             <sphere_penalty radius="10.0" stiffness="1.0e+02">
 24                 <bc_initial_position>
 25                     <Vector_3 v_1="-1.76" v_2="0.0" v_3="18.8"/>
 26                 </bc_initial_position>
 27                 <bc_velocity>
 28                     <Vector_3 v_1="0.0" v_2="0.0" v_3="-1.0"/>
 29                 </bc_velocity>
 30                 <velocity_constant/>
 31                 <node_ID_list>
 32                     <String value="2"/>
 33                 </node_ID_list>
 34             </sphere_penalty>
 35         </field>
 36     </nodes>
 37     <element_list>
 38         <particle_EAM field_name="displacement" lattice_parameter="3.52"
 39             max_neighbor_distance="5.00" re-neighbor_displacement="0.1">
 40             <particle_type all_particles="true" label="Ni"/>
 41             <EAM_particle_interaction label_1="Ni" label_2="Ni">
 42                 <Paradyn_EAM parameter_file="./FCN/niu3"/>
 43             </EAM_particle_interaction>
 44             <particle_EAM_output displacement="1" kinetic_energy="1" potential_energy="1"/>
 45         </particle_EAM>
 46     </element_list>
 47     <PCG_solver abs_tolerance="1.0e-12" divergence_tolerance="1.0e+06"
 48         line_search_iterations="10" line_search_tolerance="0.1"
 49         max_iterations="2500" max_step="2.5" quick_solve_count="-1"
 50         quick_solve_iter="500" rel_tolerance="1.0e-12" restart="250">
 51         <diagonal_matrix/>
 52     </PCG_solver>
 53 </tahoe>

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