"vscode:/vscode.git/clone" did not exist on "e735f14bacc7bb30f9df86eeeec032cfff15de2e"
Commit ff4827b4 authored by Lee-Ping's avatar Lee-Ping
Browse files

Changed the variable type of anisotropic from int to bool.

parent 6f09ac01
......@@ -66,7 +66,7 @@ public:
* @param frequency the frequency at which Monte Carlo pressure changes should be attempted (in time steps)
* @param anisotropic switch to determine whether anisotropic barostat (independent xyz-coordinate scaling) is turned on.
*/
MonteCarloBarostat(double defaultPressure, double temperature, int frequency = 25, int anisotropic = 0);
MonteCarloBarostat(double defaultPressure, double temperature, int frequency = 25, bool anisotropic = 0);
/**
* Get the default pressure acting on the system (in bar).
*
......@@ -84,7 +84,7 @@ public:
/**
* Set the switch which specifies whether anisotropic barostat is turned on. 1 = On, 0 = Off
*/
void setAnisotropic(int aniso) {
void setAnisotropic(bool aniso) {
anisotropic = aniso;
}
/**
......@@ -135,7 +135,8 @@ protected:
ForceImpl* createImpl() const;
private:
double defaultPressure, temperature;
int frequency, anisotropic, randomNumberSeed;
int frequency, randomNumberSeed;
bool anisotropic;
double GetTemperature() const {
return temperature;
......
......@@ -35,7 +35,7 @@
using namespace OpenMM;
MonteCarloBarostat::MonteCarloBarostat(double defaultPressure, double temperature, int frequency, int anisotropic) :
MonteCarloBarostat::MonteCarloBarostat(double defaultPressure, double temperature, int frequency, bool anisotropic) :
defaultPressure(defaultPressure), temperature(temperature), frequency(frequency), anisotropic(anisotropic) {
setRandomNumberSeed((int) time(NULL));
}
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment