WARNING: More than one compute coord/atom (../compute_coord_atom.cpp:105)


I'm getting four warnings as I defined four compute coord/atom. Should I just ignore it?

The goal is to calculate number of neighbors in a BCC lattice, the cutoffs are in the middle between BCC neighbor distances. The relevant code is:

variable firstsecond equal \{a\}\*\(1\+sqrt\(3\)/2\)/2 variable secondthird equal {a}*(1+sqrt(2))/2
variable thirdfourth equal \{a\}\*\(sqrt\(11\)/2\+sqrt\(2\)\)/2 variable fourthfirth equal {a}*(sqrt(11)/2+sqrt(3))/2

compute mycoord alu coord/atom \{firstsecond\} \#1nn bcc=8 compute mycoord2 alu coord/atom {secondthird} #2nn bcc=6
compute mycoord3 alu coord/atom \{thirdfourth\} \#3nn bcc=12 compute mycoord4 alu coord/atom {fourthfirth} #4nn bcc=24

compute sumcoord alu reduce sum c_mycoord
compute sumcoord2 alu reduce sum c_mycoord2
compute sumcoord3 alu reduce sum c_mycoord3
compute sumcoord4 alu reduce sum c_mycoord4

Best regards,