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Running the same calculation with either -t1 or -tauto is giving small differences in even the first iteration when starting from single vectors from multiple roots
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Selected CI Iteration:1 epsilon:0.00100000===================================================================
Build Hamiltonian matrix with dimension:250.001247 seconds (15.92 k allocations:326.172 KiB)
Root Energy S2
1-18.320038240.000000002-17.658796731.999987543-17.652303841.999881414-17.650984940.00011089
===================================================================
Selected CI Iteration:1 epsilon:0.00100000===================================================================
Build Hamiltonian matrix with dimension:250.001236 seconds (15.92 k allocations:326.172 KiB)
Root Energy S2
1-18.320038240.000000002-17.658810882.000000003-17.652315302.000000004-17.651015890.00000000
This also exists for BST. The first inconsistency occurs during the matvec
It's probably an issue of the order that the sigma Tuckers are added. Maybe collect all and do 1 SVD on the super-wide matrices to find the span.
Running the same calculation with either -t1 or -tauto is giving small differences in even the first iteration when starting from single vectors from multiple roots
input file attached
test_matvec.txt
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