Yukawa pair_style to simulate dust in plasma

I’m try to simulate 2d dusty plasma as one component plasma by inserting negatively charged dust particles and using pair_style Yukawa and i need output to be position and velocity for each particle but it gives me nans and infs
This happened when i put nonzero cutoff radius in pair_coeff. If i put it zero nans and infs dissapear but the result is not physically right

i will attach the input file and data file and log file

Note: i didn’t find any file uses yukawa potential.
Note: i use serial lammps not parallel one
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- إخلاء مسؤليه: ان جميع المعلومات الواردة في هذه الرسالة واي ملفات مرفقة هى معلومات تخص المرسل إليه، وقد تكون معلومات سرية. الرجاء اذا لم تكن احد المعنيين باستلام هذه الرسالة المبادرة بإشعار المرسل فوراً وحذف الرسالة واتلاف محتوى الرسالة الذي تم حفظه على جهاز الكمبيوتر أو غيره. كما يمنع منعا باتا نشر او توزيع هذه الرسالة وكذلك اتخاذ أي إجراء بناء على المعلومات الواردة بها، مالم تحصل على موافقة خطية من المسؤول عن محتوياتها. ويجدر بالعلم أن جميع الآراء ووجهات النظر المعروضة في هذه الرسالة تخص فقط كاتبها ولا تمثل بالضرورة رأي جامعة الأزهر كما لا تتحمل جامعة الأزهر مسؤولية أي أضرار ناتجة عن أي فيروس أو برامج ترسل بواسطة هذا البريد الإلكتروني Disclaimer: This message and any attachments are intended exclusively for the named addressee(s) and may contain confidential information. If you are not the intended/named addressee/recipient you are hereby notified that any disclosure, copying, distribution or use of the information (including attachments) contained herein is strictly prohibited under current legislation. Likewise, no action may be taken based on the information provided in this message unless a prior written consent is obtained from the person in charge of such content. If you received this transmission in error, please contact the sender immediately and permanently delete the email, any attachments, and all copies thereof from any drives or storage media and destroy any printouts of the email or attachments. It is worth noting that any opinions expressed in this communication are not necessarily those of Al-Azhar University and they are solely the writer’s. We advise that, in keeping with best business practice, the recipient must ensure they are actually virus free, as Al-Azhar University bears no liability for any damage resulting from any viruses communicated via this email.

in.4dusty (627 Bytes)

povedata.dat (3.11 MB)

log.lammps (1.64 KB)

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I’m try to simulate 2d dusty plasma as one component plasma by inserting negatively charged dust particles and using pair_style Yukawa and i need output to be position and velocity for each particle but it gives me nans and infs
This happened when i put nonzero cutoff radius in pair_coeff. If i put it zero nans and infs dissapear but the result is not physically right

NaN or Inf for energy and forces usually means, that you have atoms that are too close, often because of periodic boundary conditions (i.e. atoms very close to one side of the simulation box overlap with atoms very close to the other side of the simulation box).
those can be easily detected (and removed) with the “delete_atoms overlap” command. If i add such a command to your input deck, nearly 300 particles are removed, even for a very short overlap distance parameter. thus you need to check or regenerate your data file or the box info in it.

Axel.

Axel.

Thank you very much dr. Axel you are my savior

.
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- إخلاء مسؤليه: ان جميع المعلومات الواردة في هذه الرسالة واي ملفات مرفقة هى معلومات تخص المرسل إليه، وقد تكون معلومات سرية. الرجاء اذا لم تكن احد المعنيين باستلام هذه الرسالة المبادرة بإشعار المرسل فوراً وحذف الرسالة واتلاف محتوى الرسالة الذي تم حفظه على جهاز الكمبيوتر أو غيره. كما يمنع منعا باتا نشر او توزيع هذه الرسالة وكذلك اتخاذ أي إجراء بناء على المعلومات الواردة بها، مالم تحصل على موافقة خطية من المسؤول عن محتوياتها. ويجدر بالعلم أن جميع الآراء ووجهات النظر المعروضة في هذه الرسالة تخص فقط كاتبها ولا تمثل بالضرورة رأي جامعة الأزهر كما لا تتحمل جامعة الأزهر مسؤولية أي أضرار ناتجة عن أي فيروس أو برامج ترسل بواسطة هذا البريد الإلكتروني Disclaimer: This message and any attachments are intended exclusively for the named addressee(s) and may contain confidential information. If you are not the intended/named addressee/recipient you are hereby notified that any disclosure, copying, distribution or use of the information (including attachments) contained herein is strictly prohibited under current legislation. Likewise, no action may be taken based on the information provided in this message unless a prior written consent is obtained from the person in charge of such content. If you received this transmission in error, please contact the sender immediately and permanently delete the email, any attachments, and all copies thereof from any drives or storage media and destroy any printouts of the email or attachments. It is worth noting that any opinions expressed in this communication are not necessarily those of Al-Azhar University and they are solely the writer’s. We advise that, in keeping with best business practice, the recipient must ensure they are actually virus free, as Al-Azhar University bears no liability for any damage resulting from any viruses communicated via this email.