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root/group/trunk/OOPSE/libBASS/Globals.cpp
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Comparing trunk/OOPSE/libBASS/Globals.cpp (file contents):
Revision 1153 by gezelter, Tue May 11 04:21:52 2004 UTC vs.
Revision 1181 by chrisfen, Thu May 20 20:27:26 2004 UTC

# Line 66 | Line 66
66   #define G_ZCONSGAP          45
67   #define G_ZCONSFIXTIME      46
68   #define G_ZCONSUSINGSMD     47
69 + #define G_THERM_INT_LAMBDA  48
70 + #define G_THERM_INT_K       49
71  
72   Globals::Globals(){
73    
# Line 128 | Line 130 | Globals::Globals(){
130    addHash( "zconsGap", G_ZCONSGAP);
131    addHash( "zconsFixtime", G_ZCONSFIXTIME);
132    addHash( "zconsUsingSMD", G_ZCONSUSINGSMD);
133 +  addHash( "thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA);
134 +  addHash( "thermodynamicIntegrationK", G_THERM_INT_K);
135  
136    strcpy( mixingRule,"standard");  //default mixing rules to standard.
137    usePBC = 1; //default  periodic boundry conditions to on
# Line 1570 | Line 1574 | int Globals::globalAssign( event* the_event ){
1574          break;
1575        }
1576        break;
1577 +
1578 +    case G_THERM_INT_LAMBDA:
1579 +      switch( the_type ){
1580 +        
1581 +      case STRING:
1582 +        the_event->err_msg =
1583 +          strdup( "Global error. thermodynamicIntegrationLambda is not a double or int.\n" );
1584 +        return 1;
1585 +        break;
1586 +        
1587 +      case DOUBLE:
1588 +        thermodynamic_integration_lambda = the_event->evt.asmt.rhs.dval;
1589 +        have_thermodynamic_integration_lambda = 1;
1590 +        return 1;
1591 +        break;
1592 +        
1593 +      case INT:
1594 +        thermodynamic_integration_lambda = (double)the_event->evt.asmt.rhs.dval;
1595 +        have_thermodynamic_integration_lambda = 1;
1596 +        return 1;
1597 +        break;
1598 +        
1599 +      default:
1600 +        the_event->err_msg =
1601 +          strdup( "Global error. thermodynamicIntegrationLambda unrecognized.\n" );
1602 +        return 0;
1603 +        break;
1604 +      }
1605 +      break;      
1606 +
1607 +    case G_THERM_INT_K:
1608 +      switch( the_type ){
1609 +        
1610 +      case STRING:
1611 +        the_event->err_msg =
1612 +          strdup( "Global error. thermodynamicIntegrationK is not a double or int.\n" );
1613 +        return 1;
1614 +        break;
1615 +        
1616 +      case DOUBLE:
1617 +        thermodynamic_integration_k = the_event->evt.asmt.rhs.dval;
1618 +        have_thermodynamic_integration_k = 1;
1619 +        return 1;
1620 +        break;
1621 +        
1622 +      case INT:
1623 +        thermodynamic_integration_k = (double)the_event->evt.asmt.rhs.dval;
1624 +        have_thermodynamic_integration_k = 1;
1625 +        return 1;
1626 +        break;
1627 +        
1628 +      default:
1629 +        the_event->err_msg =
1630 +          strdup( "Global error. thermodynamicIntegrationK unrecognized.\n" );
1631 +        return 0;
1632 +        break;
1633 +      }
1634 +      break;      
1635        // add more token cases here.
1636  
1637      }

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