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hub / github.com/SINGROUP/dscribe / expMs

Function expMs

dscribe/ext/soapGeneral.cpp:1487–1500  ·  view source on GitHub ↗

Source from the content-addressed store, hash-verified

1485 return rw2;
1486}
1487inline void expMs(double* rExpDiff, double eta, double* r, double* ri, int isize, int rsize)
1488{
1489 double rDiff;
1490 for (int i = 0; i < isize; i++) {
1491 for (int w = 0; w < rsize; w++) {
1492 rDiff = r[w] - ri[i];
1493 if (rDiff > 5.0 ) {
1494 rExpDiff[rsize*i + w] = 0.0;
1495 } else {
1496 rExpDiff[rsize*i + w] = exp(-eta*rDiff*rDiff);
1497 }
1498 }
1499 }
1500}
1501inline void expPs(double* rExpSum, double eta, double* r, double* ri, int isize, int rsize)
1502{
1503 double rSum;

Callers 1

getDeltasFunction · 0.85

Calls

no outgoing calls

Tested by

no test coverage detected