Lammps users:
I finally got around to compiling the new version of LAMMPS, in order to get the updated minimizer, when I ran into numerous errors while trying to compile min_cg.cpp. I have been sucesfully using the cg minimizer included with the origonal 22-Jan08 version of LAMMPS. Has anyone else run into this problem?
Thanks,
Chris
ERRORS:
g++ -g -O -I/home/cjo123/fftw/include -I/opt/mpich/gnu/include -DFFT_NONE -DGZIP -DMPICH_IGNORE_CXX_SEEK -c min_cg.cpp
min_cg.cpp: In member function `virtual void LAMMPS_NS::MinCG::init()':
min_cg.cpp:83: error: `virial_thermo' was not declared in this scope
min_cg.cpp:84: error: `virial_thermo' was not declared in this scope
min_cg.cpp: In member function `virtual void LAMMPS_NS::MinCG::run()':
min_cg.cpp:130: error: 'class LAMMPS_NS::Thermo' has no member named 'potential_energy'
min_cg.cpp: In member function `void LAMMPS_NS::MinCG::setup()':
min_cg.cpp:225: error: `virial_thermo' was not declared in this scope
min_cg.cpp:226: error: no matching function for call to `LAMMPS_NS::MinCG::force_clear(int&)'
min_cg.h:54: note: candidates are: void LAMMPS_NS::MinCG::force_clear()
min_cg.cpp:244: error: no matching function for call to `LAMMPS_NS::Modify::setup()'
modify.h:40: note: candidates are: void LAMMPS_NS::Modify::setup(int)
min_cg.cpp: In member function `void LAMMPS_NS::MinCG::eng_force(int*, double**, double**, double*)':
min_cg.cpp:382: error: `virial_thermo' was not declared in this scope
min_cg.cpp:383: error: no matching function for call to `LAMMPS_NS::MinCG::force_clear(int&)'
min_cg.h:54: note: candidates are: void LAMMPS_NS::MinCG::force_clear()
min_cg.cpp:417: error: 'class LAMMPS_NS::Thermo' has no member named 'potential_energy'
min_cg.cpp: At global scope:
min_cg.cpp:433: error: prototype for `void LAMMPS_NS::MinCG::force_clear(int)' does not match any in class `LAMMPS_NS::MinCG'
min_cg.h:54: error: candidate is: void LAMMPS_NS::MinCG::force_clear()
make[1]: *** [min_cg.o] Error 1
make[1]: Leaving directory `/home/cjo123/lammps/src/Obj_sapphire'
make: *** [sapphire] Error 2