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Commit dca50c9

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Martin D. Weinberg
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Fix typo in previous commit. Ooops.
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expui/BiorthBasis.cc

Lines changed: 5 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -902,9 +902,11 @@ namespace BasisClasses
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pott *= (-potlfac);
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potp *= (-potlfac);
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905-
double tpotx = (potr - pott*costh/(r*r))*x/r - potp*y/R;
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double tpoty = (potr - pott*costh/(r*r))*y/r + potp*z/R;
907-
double tpotz = potr*z/r + pott*sinth/(r*r);
905+
// Transform to Cartesian components
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//
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double tpotx = (potr - pott*costh/r)*x/r - potp*y/R2;
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double tpoty = (potr - pott*costh/r)*y/r + potp*x/R2;
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double tpotz = potr*costh + pott*sinth*sinth/r;
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// Return force not potential gradient
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//

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