# | Line 122 | Line 122 | void AtomType::complete() { | |
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122 | if (ljData != NULL) { | |
123 | LJParam ljParam = ljData->getData(); | |
124 | ||
125 | < | newLJtype(&atp.ident, &ljParam.sigma, &ljParam.epsilon, &isError); |
125 | > | newLJtype(&atp.ident, &ljParam.sigma, &ljParam.epsilon, &ljParam.soft_pot, &isError); |
126 | ||
127 | if (isError != 0) { | |
128 | sprintf( painCave.errMsg, |
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