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/dports/science/lammps/lammps-stable_29Sep2021/src/SMTBQ/
H A Dpair_smtbq.cpp784 double ecovtot,ErepOO,ErepMO,Eion,Ecoh; in compute() local
1142 Ecoh = tmpAll[gp][2] + tmpAll[gp][3] + tmpAll[gp][4] + tmpAll[gp][5]; in compute()
1143 printf ("Energie totale : %f | %f par mol\n",Ecoh,Ecoh/nmol[gp]); in compute()