| # | Line 438 | Line 438 | namespace oopse{ | |
|---|---|---|
| 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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