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 |
|
|
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 |
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 |
|
} |