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ERROR Matrix_Multiply only allowed for nxm by lxn matrices second matrix must have same number of colums as first matrix has number of rows #66

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Sumona23rs opened this issue Feb 20, 2024 · 0 comments
Open

ERROR Matrix_Multiply only allowed for nxm by lxn matrices second matrix must have same number of colums as first matrix has number of rows #66

Sumona23rs opened this issue Feb 20, 2024 · 0 comments

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@Sumona23rs
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Facing square matrix error in the calc_J version 1.9.
The system contains 74 atoms and I'm using the basis set B3LYP-GD3/6-311G++(d,p). I got 1126 MOs for both the monomers and the dimer contains 2243 MOs.
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@Sumona23rs