# | Line 438 | Line 438 | namespace oopse{ | |
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438 | /** Figure out the radius of cutoff, radius of switching function and pass them to fortran */ | |
439 | void setupCutoff(); | |
440 | ||
441 | + | /** Figure out which coulombic correction method to use and pass to fortran */ |
442 | + | void setupCoulombicCorrection( int isError ); |
443 | + | |
444 | /** Calculates the number of degress of freedom in the whole system */ | |
445 | void calcNdf(); | |
446 | void calcNdfRaw(); |
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