Dear all,
I am writing a script that will pack a solvent in a pre-prepared cell (that include polymer+ions) in the Amorphous Cell module.
The error message I get is:
Array property access error: index 3 out of range for property MoleRatio in AmorphousCell.Packing (writing property "MoleRatio") at -e line 131.
Here is the relevant section of the code:
my \$doca = Documents->Import("\$xsd.xsd");
my \$acPacking = Modules->AmorphousCell->Packing;
my \$component3 = Documents->Import("ACN.xsd");
\$acPacking->AddComponent(\$component3);
\$acPacking->MoleRatio(\$component3) = 1.0; # —————> This is the problematic line
my \$results = \$acPacking->Run(\$doca,Settings(TargetDensity => 0.786,
LoadingMoves => 3000,
ChargeAssignment => "Use current",
"3DPeriodicvdWSummationMethod" => "Ewald"));
When I’m doing this on the MaterialStudio visualizer, this works ok.
Also, I tried changing the MoleRatio a bit (i.e. 0.95), and I still got the same problem.
Any ideas?
Thank you,
Shahar