| # | Line 441 | Line 441 | namespace oopse{ | |
|---|---|---|
| 441 | /** Figure out which coulombic correction method to use and pass to fortran */ | |
| 442 | void setupElectrostaticSummationMethod( int isError ); | |
| 443 | ||
| 444 | + | /** Figure out which polynomial type to use for the switching function */ |
| 445 | + | void setupSwitchingFunction(); |
| 446 | + | |
| 447 | /** Calculates the number of degress of freedom in the whole system */ | |
| 448 | void calcNdf(); | |
| 449 | void calcNdfRaw(); | |
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