| 120 |
|
addHash( "useInitialTime", G_USEINITTIME); |
| 121 |
|
addHash( "useInitialExtendedSystemState", G_USEINIT_XS_STATE); |
| 122 |
|
addHash( "orthoBoxTolerance", G_ORTHOBOXTOLERANCE); |
| 123 |
< |
addHash( "minimizer", G_MINIMIZER); |
| 124 |
< |
addHash( "minMaxIter", G_MIN_MAXITER); |
| 125 |
< |
addHash( "minWriteFrq", G_MIN_WRITEFRQ); |
| 126 |
< |
addHash( "minStepSize", G_MIN_STEPSIZE); |
| 127 |
< |
addHash( "minFTol", G_MIN_FTOL); |
| 128 |
< |
addHash( "minGTol", G_MIN_GTOL); |
| 129 |
< |
addHash( "minLSTol", G_MIN_LSTOL); |
| 130 |
< |
addHash( "minLSMaxIter", G_MIN_LSMAXITER); |
| 131 |
< |
addHash( "zconsGap", G_ZCONSGAP); |
| 132 |
< |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
| 133 |
< |
addHash( "zconsUsingSMD", G_ZCONSUSINGSMD); |
| 134 |
< |
addHash( "useThermInt", G_USE_THERM_INT); |
| 135 |
< |
addHash( "thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA); |
| 136 |
< |
addHash( "thermodynamicIntegrationK", G_THERM_INT_K); |
| 123 |
> |
addHash( "minimizer", G_MINIMIZER); |
| 124 |
> |
addHash( "minMaxIter", G_MIN_MAXITER); |
| 125 |
> |
addHash( "minWriteFrq", G_MIN_WRITEFRQ); |
| 126 |
> |
addHash( "minStepSize", G_MIN_STEPSIZE); |
| 127 |
> |
addHash( "minFTol", G_MIN_FTOL); |
| 128 |
> |
addHash( "minGTol", G_MIN_GTOL); |
| 129 |
> |
addHash( "minLSTol", G_MIN_LSTOL); |
| 130 |
> |
addHash( "minLSMaxIter", G_MIN_LSMAXITER); |
| 131 |
> |
addHash( "zconsGap", G_ZCONSGAP); |
| 132 |
> |
addHash( "zconsFixtime", G_ZCONSFIXTIME); |
| 133 |
> |
addHash( "zconsUsingSMD", G_ZCONSUSINGSMD); |
| 134 |
> |
addHash( "useSolidThermInt", G_USE_SOLID_THERM_INT); |
| 135 |
> |
addHash( "thermodynamicIntegrationLambda", G_THERM_INT_LAMBDA); |
| 136 |
> |
addHash( "thermodynamicIntegrationK", G_THERM_INT_K); |
| 137 |
|
|
| 138 |
|
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
| 139 |
|
usePBC = 1; //default periodic boundry conditions to on |
| 141 |
|
useInitTime = 0; // default to pull init time from the init file |
| 142 |
|
useInitXSstate = 0; // default to pull the extended state from the init file |
| 143 |
|
orthoBoxTolerance = 1E-6; |
| 144 |
< |
useThermInt = 0; // default thermodynamic integration to off |
| 144 |
> |
useSolidThermInt = 0; // default solid-state thermodynamic integration to off |
| 145 |
|
|
| 146 |
|
have_force_field = 0; |
| 147 |
|
have_n_components = 0; |
| 1580 |
|
} |
| 1581 |
|
break; |
| 1582 |
|
|
| 1583 |
< |
case G_USE_THERM_INT: |
| 1583 |
> |
case G_USE_SOLID_THERM_INT: |
| 1584 |
|
if( the_type == STRING ){ |
| 1585 |
|
|
| 1586 |
< |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useThermInt = 1; |
| 1587 |
< |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useThermInt = 0; |
| 1586 |
> |
if( !strcasecmp( "true", the_event->evt.asmt.rhs.sval )) useSolidThermInt = 1; |
| 1587 |
> |
else if( !strcasecmp( "false", the_event->evt.asmt.rhs.sval )) useSolidThermInt = 0; |
| 1588 |
|
else{ |
| 1589 |
|
the_event->err_msg = |
| 1590 |
< |
strdup( "Global error. useThermInt was not \"true\" or \"false\".\n" ); |
| 1590 |
> |
strdup( "Global error. useSolidThermInt was not \"true\" or \"false\".\n" ); |
| 1591 |
|
return 0; |
| 1592 |
|
} |
| 1593 |
|
return 1; |
| 1594 |
|
} |
| 1595 |
|
|
| 1596 |
|
the_event->err_msg = |
| 1597 |
< |
strdup( "Global error. useThermInt was not \"true\" or \"false\".\n" ); |
| 1597 |
> |
strdup( "Global error. useSolidThermInt was not \"true\" or \"false\".\n" ); |
| 1598 |
|
return 0; |
| 1599 |
|
break; |
| 1600 |
|
|
