Loading src/kspace.h +4 −2 Original line number Diff line number Diff line Loading @@ -222,11 +222,13 @@ Self-explanatory. E: System is not charge neutral, net charge = %g UNDOCUMENTED The total charge on all atoms on the system is not 0.0, which is not valid for the long-range Coulombic solvers. W: System is not charge neutral, net charge = %g UNDOCUMENTED The total charge on all atoms on the system is not 0.0, which is not valid for the long-range Coulombic solvers. W: For better accuracy use 'pair_modify table 0' Loading Loading
src/kspace.h +4 −2 Original line number Diff line number Diff line Loading @@ -222,11 +222,13 @@ Self-explanatory. E: System is not charge neutral, net charge = %g UNDOCUMENTED The total charge on all atoms on the system is not 0.0, which is not valid for the long-range Coulombic solvers. W: System is not charge neutral, net charge = %g UNDOCUMENTED The total charge on all atoms on the system is not 0.0, which is not valid for the long-range Coulombic solvers. W: For better accuracy use 'pair_modify table 0' Loading
