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