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root/OpenMD/trunk/src/io/Globals.cpp
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Comparing trunk/src/io/Globals.cpp (file contents):
Revision 609 by chuckv, Fri Sep 16 23:04:47 2005 UTC vs.
Revision 629 by chuckv, Mon Sep 26 15:58:17 2005 UTC

# Line 121 | Line 121
121   #define G_DAMPING_ALPHA     59
122   #define G_CUTOFFPOLICY      60
123   #define G_COMPRESSDUMPFILE  61
124 + #define G_SKINTHICKNESS     62
125  
126   Globals::Globals(){
127    initalize();
# Line 200 | Line 201 | void Globals::initalize(){
201    command_table.insert(CommandMapType::value_type("dampingAlpha", G_DAMPING_ALPHA));
202    command_table.insert(CommandMapType::value_type("cutoffPolicy", G_CUTOFFPOLICY));
203    command_table.insert(CommandMapType::value_type("compressDumpFile", G_COMPRESSDUMPFILE));
204 +  command_table.insert(CommandMapType::value_type("skinThickness", G_SKINTHICKNESS));
205  
206    strcpy( mixingRule,"standard");  //default mixing rules to standard.
207    usePBC = 1; //default  periodic boundry conditions to on
# Line 210 | Line 212 | void Globals::initalize(){
212    useLiquidThermInt = 0; // default liquid thermodynamic integration to off
213    dampingAlpha = 1.5; // default damping parameter in Wolf Electrostatics
214    compressDumpFile = 0; // default compressDumpFile set to off
215 +  skinThickness = 1.0; // default neighborlist skin thickness is one angstrom
216  
217    have_force_field =  0;
218    have_n_components = 0;
# Line 218 | Line 221 | void Globals::initalize(){
221    have_dt =           0;
222    have_run_time =     0;
223    
224 +  have_skin_thickness = 0;
225    have_initial_config = 0;
226    have_final_config =   0;
227    have_n_mol =          0;
# Line 989 | Line 993 | int Globals::globalAssign( event* the_event ){
993        default:
994          the_event->err_msg =
995            strdup( "Error in parsing meta-data file!\n\tswitchingRadius unrecognized.\n" );
996 +        return 0;
997 +        break;
998 +      }
999 +      break;
1000 +
1001 +
1002 +    case G_SKINTHICKNESS:
1003 +      switch( the_type ){
1004 +        
1005 +      case STRING:
1006 +        the_event->err_msg =
1007 +          strdup( "Error in parsing meta-data file!\n\tskinThickness is not a double or int.\n" );
1008 +        return 0;
1009 +        break;
1010 +        
1011 +      case DOUBLE:
1012 +        skinThickness = the_event->evt.asmt.rhs.dval;
1013 +        have_skin_thickness = 1;
1014 +        return 1;
1015 +        break;
1016 +        
1017 +      case INT:
1018 +        skinThickness = (double)the_event->evt.asmt.rhs.ival;
1019 +        have_skin_thickness = 1;
1020 +        return 1;
1021 +        break;
1022 +        
1023 +      default:
1024 +        the_event->err_msg =
1025 +          strdup( "Error in parsing meta-data file!\n\tskinThickness unrecognized.\n" );
1026          return 0;
1027          break;
1028        }
1029        break;
1030 +
1031 +
1032        
1033      case G_DIELECTRIC:
1034        switch( the_type ){

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