Editing Reverse Monte Carlo
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The algorithm for reverse Monte Carlo can be written as follows: | The algorithm for reverse Monte Carlo can be written as follows: | ||
#Start with a configuration of atoms with [[periodic boundary conditions]]. This can be a random or a crystalline configuration from a different simulation or model. | #Start with a configuration of atoms with [[boundary conditions |periodic boundary conditions]]. This can be a random or a crystalline configuration from a different simulation or model. | ||
#Calculate the total [[radial distribution function]] <math>g_o^C(r)</math> for this old configuration (''C''=Calculated, ''o''=Old). | #Calculate the total [[radial distribution function]] <math>g_o^C(r)</math> for this old configuration (''C''=Calculated, ''o''=Old). | ||
#Transform to the total [[Structure factor | structure factor]]: | #Transform to the total [[Structure factor | structure factor]]: |