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Fixed MRCC

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This commit is contained in:
Anthony Scemama 2017-03-06 13:25:06 +01:00
parent 61fd771687
commit eccf1ca93b
1 changed files with 1 additions and 1 deletions
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2
plugins/MRCC_Utils/mrcc_utils.irp.f
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@ -787,7 +787,6 @@ END_PROVIDER
if (res > resold) then
factor = factor * 0.5d0
endif
resold = res
if(iand(k, 127) == 0) then
print *, k, res, 1.d0 - res/resold
@ -796,6 +795,7 @@ END_PROVIDER
if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then
exit
endif
resold = res
end do
dIj_unique(1:size(X), s) = X(1:size(X))