error due to limit on maximum number of atoms

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danial asad

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Jun 21, 2024, 10:32:15 PMJun 21
to Vampire Users
Dear Vampire users and Developers,

I am trying to calculate the Curie temperature of a system with more than 100 atoms. When i run the vampire, i get this error message:

Error: material:num-materials on line 1 of material file must be in the range 1 - 100

Evidently, this is related to fact that standard code has max limit of 100 atoms. Is it possible to increase this limit to a higher number ? If so, I will appreciate if you can point out the subroutine that should be changed and recompiled.

with best regards
Danial Asad 

gabo...@gmail.com

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Jun 21, 2024, 11:43:40 PMJun 21
to Vampire Users
A past post to this list with regards to changing the num-materials limit that might be helpful should be at:


Kind Regards,
Gavin
VAMPIRE user

danial asad

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Jun 21, 2024, 11:51:04 PMJun 21
to gabo...@gmail.com, vampir...@googlegroups.com

Dear Gavin,

Thanks for your kind and timely help!

Best


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