Hallo,
in order to use the fix bond/create and fix bond/break command for my bond model i need the MC package, which is not available in LIGGGHTS-PUBLIC version 3.5 . Therefore, i have copied the MC file from LAMMPS (17 Nov 2015) stable version in my LIGGGHTS-PUBLIC src directory and tried to compile it using the command make g++. When i tried to compile it it gave the following error:
make[1]: Entering directory '/home/braj/LIGGGHTS-PUBLIC/src/Obj_g++'
g++ -g -O -DLAMMPS_GZIP -DLAMMPS_JPEG -I../../lib/poems -I -DMPICH_SKIP_MPICXX -I/usr/include/openmpi -DFFT_FFTW -I/usr/local/include/voro++ -c ../fix_atom_swap.cpp
../fix_atom_swap.cpp: In constructor ‘LAMMPS_NS::FixAtomSwap::FixAtomSwap(LAMMPS_NS::LAMMPS*, int, char**)’:
../fix_atom_swap.cpp:64:3: error: ‘dynamic_group_allow’ was not declared in this scope
dynamic_group_allow = 1;
^
../fix_atom_swap.cpp: In member function ‘int LAMMPS_NS::FixAtomSwap::attempt_semi_grand()’:
../fix_atom_swap.cpp:371:37: error: ‘class LAMMPS_NS::KSpace’ has no member named ‘qsum_qsq’
if (force->kspace) force->kspace->qsum_qsq();
^
../fix_atom_swap.cpp:398:39: error: ‘class LAMMPS_NS::KSpace’ has no member named ‘qsum_qsq’
if (force->kspace) force->kspace->qsum_qsq();
^
Makefile:100: recipe for target 'fix_atom_swap.o' failed
make[1]: *** [fix_atom_swap.o] Error 1
make[1]: Leaving directory '/home/braj/LIGGGHTS-PUBLIC/src/Obj_g++'
Makefile:72: recipe for target 'g++' failed
make: *** [g++] Error 2
can anyone please help me in solving this problem.
I will be very thankful.
Regards
Braj
ckloss | Mon, 12/12/2016 - 21:14
Hi Braj,
Hi Braj,
if you backport LAMMPS files into LIGGGHTS you should be able to do some coding and know what you are doing, otherwise the simulation will be a lottery :-)
So I guess the best thing will be to get some help from a local LIGGGHTS expert / C++ programmer and sort out the things together with him/her
Best wishes
Christoph