74 |
|
addHash( "dielectric", G_DIELECTRIC ); |
75 |
|
addHash( "tempSet", G_TEMPSET ); |
76 |
|
addHash( "thermalTime", G_THERMALTIME ); |
77 |
< |
addHash("mixingRule", G_MIXINGRULE); |
78 |
< |
mixingRule = "standard"; //default mixing rules to standard. |
77 |
> |
addHash( "mixingRule", G_MIXINGRULE); |
78 |
|
addHash("periodicBoundryConditions", G_USEPBC); |
79 |
+ |
|
80 |
+ |
// define some default values |
81 |
+ |
|
82 |
+ |
strcpy( mixingRule,"standard"); //default mixing rules to standard. |
83 |
|
usePBC = 1; //default periodic boundry conditions to on |
84 |
|
|
85 |
|
|