Determinant not equal box volume
- piskuliche
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7 years 6 months ago #251
by piskuliche
Hello!
Hope all is going well with you. I am getting an error in Cassandra simulations of acetonitrile in a couple of my system configurations I was wondering what might be the cause of it and how I can avoid it. I can provide scripts if you need them.
***************ERROR***************
Determinant not equal box volume
For box
1
This error occurred in subroutine Compute_Cell_Dimensions on step 113155.
Fatal Error. Stopping Program.
Hope all is going well with you. I am getting an error in Cassandra simulations of acetonitrile in a couple of my system configurations I was wondering what might be the cause of it and how I can avoid it. I can provide scripts if you need them.
***************ERROR***************
Determinant not equal box volume
For box
1
This error occurred in subroutine Compute_Cell_Dimensions on step 113155.
Fatal Error. Stopping Program.
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- emarin
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