Adsorption Energy calculation for Water/TiO2 systems run using LAMMPS
Compile: standard gcc compilers work TiO2_Adsorption_Energy.cpp: Adsorption Energy code developed by Srinivas Mushnoori periodic.cpp: Periodic Boundary Condition Unwrapper developed by Srinivas Mushnoori and Leebyn Chong readump01.cpp: LAMMPS dump file reader ported from MATLAB to C++ by Leebyn Chong.