LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 07:02:14 +02:00
Code Issues Releases Wiki Activity

Merge branch 'master' of github.com:scemama/quantum_package

Browse Source
This commit is contained in:
Anthony Scemama 2017-03-06 13:20:07 +01:00
commit 61fd771687
1 changed files with 7 additions and 4 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

11
plugins/MRCC_Utils/mrcc_utils.irp.f
View File

@ -790,13 +790,16 @@ END_PROVIDER
resold = res
if(iand(k, 127) == 0) then
print *, "res ", k, res
end if
print *, k, res, 1.d0 - res/resold
endif
if(res < 1d-10) exit
if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then
exit
endif
end do
dIj_unique(1:size(X), s) = X(1:size(X))
print *, "res ", k, res
print *, k, res, 1.d0 - res/resold
enddo