public static int Main(string[] args)
{
using (BootStrap b = new BootStrap())
{
System.Diagnostics.Stopwatch watch = new System.Diagnostics.Stopwatch();
watch.Start();
string filename = b.GetInputFile("Tight Binding code", "tb", args);
TightBinding c = new TightBinding();
c.LoadTB(filename);
c.RunTB();
watch.Stop();
Output.WriteLine("Total time: {0} s", watch.ElapsedMilliseconds / 1000.0);
long milliseconds = watch.ElapsedMilliseconds;
int seconds = (int)(milliseconds / 1000L);
int minutes = seconds / 60;
int hours = minutes / 60;
minutes %= 60;
seconds %= 60;
milliseconds %= 1000;
Output.WriteLine(" {0}:{1:00}:{2:00}.{3:000}", hours, minutes, seconds, milliseconds);
return 0;
}
}
void Run(string inputfile)
{
TightBinding tb = new TightBinding();
tb.LoadTB(inputfile);
tb.RunTB();
bool ranRPA = false;
SetCpus();
if (tb.UseQPlane && tb.QPlane != null && tb.QPlane.Kpts.Count > 0)
{
RunRpa(tb, tb.QPlane, true);
ranRPA = true;
}
if (tb.QMesh != null)
{
RunRpa(tb, tb.QMesh, false);
ranRPA = true;
}
if (!ranRPA)
{
Output.WriteLine("No q-points defined, so we will not run the RPA.");
}
}
public static int Main(string[] args)
{
using (BootStrap b = new BootStrap())
{
System.Diagnostics.Stopwatch watch = new System.Diagnostics.Stopwatch();
watch.Start();
string filename = b.GetInputFile("Tight Binding code", "tb", args);
TightBinding c = new TightBinding();
c.LoadTB(filename);
c.RunTB();
watch.Stop();
Output.WriteLine("Total time: {0} s", watch.ElapsedMilliseconds / 1000.0);
long milliseconds = watch.ElapsedMilliseconds;
int seconds = (int)(milliseconds / 1000L);
int minutes = seconds / 60;
int hours = minutes / 60;
minutes %= 60;
seconds %= 60;
milliseconds %= 1000;
Output.WriteLine(" {0}:{1:00}:{2:00}.{3:000}", hours, minutes, seconds, milliseconds);
return(0);
}
}
void Run(string inputfile)
{
TightBinding tb = new TightBinding();
tb.LoadTB(inputfile);
tb.RunTB();
bool ranRPA = false;
SetCpus();
if (tb.UseQPlane && tb.QPlane != null && tb.QPlane.Kpts.Count > 0)
{
RunRpa(tb, tb.QPlane, true);
ranRPA = true;
}
if (tb.QMesh != null)
{
RunRpa(tb, tb.QMesh, false);
ranRPA = true;
}
if (!ranRPA)
Output.WriteLine("No q-points defined, so we will not run the RPA.");
}
