Report a bug about the difference of i.stack between command line and python methods because of the weight parameter

ShengLin1001 commented 5 months ago

Hello, Dr. Roman. I've send your email last week.😊 I found it's a nice tool reached the balance between fast calculating, completeness of theory and user-friendly usage. And i still have some simple problems, hope you could help me solve it. When I run hetbuilder build -N 5 -t 2 -w 0 CONTCAR_SiO_film CONTCAR_FCC_film on the attachment, I found it cant be controlled by the weight parameters.

First, I found the output didn't changed although different weight, when i use the command line method.
Second, I use the python method to generate series of heterostructure, It's extremelly well controlled by the weight parameter.
And then, I compared the i.stack output between these two methods (see attachement).
Lastly, I find the output of command line methods always consistent with the w = 0.5. It seems like a default value and I couldnt changed it when I run.
And I've read your code carefully, but I couldn't fix this simple bug✨

Looking forward to your reply, Sincerely, Louis 😉

ShengLin1001 commented 5 months ago

test_weight.zip

hongyi-zhao commented 5 months ago

This issue has been resolved, please see this commit.

romankempt / hetbuilder

Report a bug about the difference of i.stack between command line and python methods because of the weight parameter #12