Dear lammps users,
I am using “fix adapt” to change pair potential parameters during simulation time, I have used the same thing to change pair potential parameters of buckingham potential i.e., “pair_style buck”, which was implemented by default in lammps. Now I am planing to use “fix adapt” for “pair_style lj/charmm/coul/long”, but it was not implemented by default in lammps. I have tried to implement this by adding following lines
" if (strcmp(str,“epsilon”) == 0) return (void *) epsilon;
if (strcmp(str,“eps14”) == 0) return (void *) eps14;"
to extract() in files pair_lj/chramm/coul/long.cpp in '/src/" and “/KSPACE/” folders, but I couldn’t succeed. I am getting the following error
ERROR: Variable name for fix adapt does not exist (…/fix_adapt.cpp:197)
Can anybody please help me in this regard.
Thank you in advance.
Dear lammps users,
I am using "fix adapt" to change pair potential parameters during
simulation time, I have used the same thing to change pair potential
parameters of buckingham potential i.e., "pair_style buck", which was
implemented by default in lammps. Now I am planing to use "fix adapt" for
"pair_style lj/charmm/coul/long", but it was not implemented by default in
lammps. I have tried to implement this by adding following lines
" if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
if (strcmp(str,"eps14") == 0) return (void *) eps14;"
to extract() in files pair_lj/chramm/coul/long.cpp in '/src/" and
"/KSPACE/" folders, but I couldn't succeed. I am getting the following
error
well, did you also recompile and use the new binary and not the old one?
ERROR: Variable name for fix adapt does not exist (../fix_adapt.cpp:197)
Can anybody please help me in this regard.
it is difficult do anything else. there is too little context to say more.
axel.