Activity for Xu Yan
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Xu Yan modified a comment on discussion Open Discussion
Hello, Marcus Thank you for your response. I have already attached the input and output files below. Could you please take a look at why the volume of the third box is changing? Additionally, I plan to change the periodic boundary conditions for the x and y directions of the third box. In which file should I make these modifications? Thanks a lot. Xu
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Hello, Marcus Thank you for your response. I have already attached the input and output files below. Could you please take a look at why the volume of the third box is changing? Additionally, I plan to change the periodic boundary conditions for the x and y directions of the third box. In which file should I make these modifications? Thanks a lot. Xu
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Hello, Marcus Thank you for your response. I have already attached the input and output files below. Could you please take a look at why the volume of the third box is changing? Additionally, I plan to change the periodic boundary conditions for the x and y directions of the third box. In which file should I make these modifications? Thanks a lot. Xu
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Hello, Marcus Martin May I ask you a question about the gauge-NPT-GEMC. I am working on the oil mixture (C1 to C7) phase behavior with confined condition. I have three boxes, and the third box contains a carbon nanotube. The third box have to keep the volume being constant working as a gauge meter, hence, I set pmvlpr parameter like "0.5d0, 1.0d0, 0.0d0". The output on the terminal shows that the third box volume can be cosntant. But, question is that when I check the pdb file on the OVITO, the third...
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