| 44 |
|
#define G_EST 23 |
| 45 |
|
#define G_USERF 24 |
| 46 |
|
#define G_TARGETPRESSURE 25 |
| 47 |
< |
#define G_QMASS 26 |
| 48 |
< |
#define G_TAUTHERMOSTAT 27 |
| 49 |
< |
#define G_TAUBAROSTAT 28 |
| 47 |
> |
#define G_TAUTHERMOSTAT 26 |
| 48 |
> |
#define G_TAUBAROSTAT 27 |
| 49 |
|
|
| 50 |
|
|
| 51 |
|
Globals::Globals(){ |
| 84 |
|
addHash( "electrostaticSkinThickness", G_EST ); |
| 85 |
|
addHash( "useReactionField", G_USERF ); |
| 86 |
|
addHash( "targetPressure", G_TARGETPRESSURE); |
| 88 |
– |
addHash( "qMass", G_QMASS); |
| 87 |
|
addHash( "tauThermostat", G_TAUTHERMOSTAT); |
| 88 |
|
addHash( "tauBarostat", G_TAUBAROSTAT); |
| 89 |
|
|
| 825 |
|
} |
| 826 |
|
break; |
| 827 |
|
|
| 830 |
– |
case G_QMASS: |
| 831 |
– |
switch( the_type ){ |
| 832 |
– |
|
| 833 |
– |
case STRING: |
| 834 |
– |
the_event->err_msg = |
| 835 |
– |
strdup( "Global error. qMass is not a double or int.\n" ); |
| 836 |
– |
return 0; |
| 837 |
– |
break; |
| 838 |
– |
|
| 839 |
– |
case DOUBLE: |
| 840 |
– |
q_mass = the_event->evt.asmt.rhs.dval; |
| 841 |
– |
have_q_mass = 1; |
| 842 |
– |
return 1; |
| 843 |
– |
break; |
| 844 |
– |
|
| 845 |
– |
case INT: |
| 846 |
– |
q_mass = (double)the_event->evt.asmt.rhs.ival; |
| 847 |
– |
have_q_mass = 1; |
| 848 |
– |
return 1; |
| 849 |
– |
break; |
| 850 |
– |
|
| 851 |
– |
default: |
| 852 |
– |
the_event->err_msg = |
| 853 |
– |
strdup( "Global error. qMass unrecognized.\n" ); |
| 854 |
– |
return 0; |
| 855 |
– |
break; |
| 856 |
– |
} |
| 857 |
– |
break; |
| 858 |
– |
|
| 828 |
|
case G_TAUTHERMOSTAT: |
| 829 |
|
switch( the_type ){ |
| 830 |
|
|
