Translating Fix Widom into the 3Mar20 version
Once you download the current version (29Oct20) of LAMMPS, you need to copy the fix_widom.cpp and fix_widom.h files located in the src/MC folder to a temporary location. Use git reset –hard b3040db1e to revert back to the 3Mar20 version, and copy the fix_widom.cpp and fix_widom.h files back to the src/MC folder of this version, renamed as fix_widom_modified.cpp and fix_widom_modified.h, respectively.
Upon performing regular compilation (see Appendix A, Building LAMMPS with CMake) including the MC package, several errors are produced, some of which are shown in the following screenshot:
Figure 15.1 – A partial list of errors when compiling Fix Widom in the 3Mar20 version
As you can see, the errors can be categorized into the following:
- Parsing input parameters with the
Utilsclass - Identifying molecular systems using the
Atomclass - Additional function signatures in
group.cpp
