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Fix Cholesky H2O 6-31G
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@ -194,14 +194,11 @@ END_PROVIDER
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+ (np+1)*memory_of_double(block_size) ! Ltmp_p(np,block_size) + Ltmp_q(nq,block_size)
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! call check_mem(mem)
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! 5.
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do while ( (Dmax > tau).and.(np > 0) )
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! a.
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i = i+1
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block_size = max(N,24)
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! Determine nq so that Delta fits in memory
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@ -308,6 +305,8 @@ END_PROVIDER
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Qmax = max(Qmax, D(Dset(q)))
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enddo
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if (Qmax <= Dmin) exit
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! g.
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iblock = 0
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