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 |
|
|