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check for popping empty stack; and don't pop empty stack

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robertjharrison committed Sep 8, 2017
1 parent f88a01e commit b66cebe31b02b269b6d17921b585b0db46c64617
Showing with 1 addition and 1 deletion.
  1. +1 −1 src/apps/chem/SCF.cc
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@@ -96,6 +96,7 @@ namespace madness {
}
static double pop(std::vector<double>& v) {
MADNESS_ASSERT(v.size());
double x=v.back();
v.pop_back();
return x;
@@ -2370,7 +2371,6 @@ namespace madness {
amo = transform(world, amo, dUT);
truncate(world, amo);
normalize(world, amo);
END_TIMER(world, "Rotate subspace");
if (!param.spin_restricted && param.nbeta != 0) {
if (param.localize_pm)
dUT = localize_PM(world, bmo, bset, tolloc, 0.1, iter == 0, true);

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