Hello,

I just want to first say thank you for all the past help. I am running across an error that I can not see where my issue is. I am getting that I have a mismatch compute in variable forumala.

The code:

#Computations

compute cordnum all coord/atom cutoff 2.0

compute coordnum all reduce ave c_cordnum

compute eperatom all pe/atom

compute maxeng all reduce max c_eperatom

compute mineng all reduce min c_eperatom

compute distance all pair/local dist

compute mindist all reduce min c_distance

compute maxdist all reduce max c_distance

variable test1 equal “c_eperatom[1]”

variable test2 equal “c_eperatom[2]”

variable test3 equal “c_eperatom[3]”

variable test4 equal “c_eperatom[4]”

variable test5 equal “c_eperatom[5]”

variable test6 equal “c_eperatom[6]”

variable test7 equal “c_eperatom[7]”

variable test8 equal “c_eperatom[8]”

variable test9 equal “c_eperatom[9]”

variable test10 equal “c_eperatom[10]”

variable test11 equal “c_eperatom[11]”

variable test12 equal “c_eperatom[12]”

variable test13 equal “c_eperatom[13]”

variable dtest equal “c_distance[1]”

# Minimize/Run Sim

reset_timestep 0

thermo 10

thermo_style custom step c_coordnum v_dtest v_test1 v_test2 v_test3 v_test4 v_test5 v_test6 v_test7 v_test8 v_test9 v_test10 v_test11 v_test12 v_test13

min_style cg

minimize 1e-25 1e-25 100 1000

I feel since pair/local will give a vector for the pair distances, I should be able to do a similar way of looking at the individual components like I do for the energy, but I keep getting an error that will not allow me to look a the individual pair distance value.

Thank you,

Philip Chrostoski

PhD Candidate

Department of Physics and Astronomy

Center for Nanoscience

University of Missouri - St. Louis