[CPMD-list] DIFFER keyword in CPMD

chenghuiqc chenghuiqc at sina.com
Fri Dec 13 15:33:32 CET 2002


Dear cpmd-listers,

I found that in the CPMD source file 
mm_coninp.F there are a parameter DIFFER. It
should be one of the keyworks in the CONSTRAINTS
part, but the manual do not introduce this parameter.
In the source file there are a remark line that is 

DIFFER    n1  n2  n3  dR0 [+1,-1,0]

Who can tell me the meaning of this line?


chenhui
Dept Chem, Nanjing Univ
P.R.China
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