Dear all,
I know that I can add an external force to one set of atoms by scripting in material studio 7.0, just as below:
#!perl
use strict;
use Getopt::Long;
use MaterialsScript qw(:all);
my \$doc = \$Documents{"SWNT.xsd"};
my \$forcite = Modules->Forcite;
my \$dynamics = \$forcite->Dynamics;
Modules->Forcite->ChangeSettings([Ensemble3D => "NVT",
NumberOfSteps => 50000,
CurrentForcefield => "Dreiding",
WriteForces=> "Yes",
Quality => "Coarse",
TimeStep => 1, # fs
TrajectoryFrequency => 20,
ExternalForceSet => "Right",
ExternalForceStrength => 10000,
ExternalForceX=>0,
ExternalForceY=>0,
ExternalForceZ=>-1,
CounterExternalForce =>"No",
]);
Modules->Forcite->Dynamics->Run(\$doc);
But how to add external force in material studio 6.1?
Thanks.
Best regards,
Yours
CHENG Xu
I know that I can add an external force to one set of atoms by scripting in material studio 7.0, just as below:
#!perl
use strict;
use Getopt::Long;
use MaterialsScript qw(:all);
my \$doc = \$Documents{"SWNT.xsd"};
my \$forcite = Modules->Forcite;
my \$dynamics = \$forcite->Dynamics;
Modules->Forcite->ChangeSettings([Ensemble3D => "NVT",
NumberOfSteps => 50000,
CurrentForcefield => "Dreiding",
WriteForces=> "Yes",
Quality => "Coarse",
TimeStep => 1, # fs
TrajectoryFrequency => 20,
ExternalForceSet => "Right",
ExternalForceStrength => 10000,
ExternalForceX=>0,
ExternalForceY=>0,
ExternalForceZ=>-1,
CounterExternalForce =>"No",
]);
Modules->Forcite->Dynamics->Run(\$doc);
But how to add external force in material studio 6.1?
Thanks.
Best regards,
Yours
CHENG Xu