WagnerGroup / pyqmc

Python library for real space quantum Monte Carlo
MIT License
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Fix the max absolute instead of max determinant parameter when creating to_opt #449

Closed cychow2 closed 2 months ago

cychow2 commented 2 months ago

The previous implementation fix the maximum determinant parameter when setting up to_opt["det_coeff"] to fix the normalization of the wf, but when the leading determinant coefficient is negative, the code doesn't work as intended. So instead of fixing the maximum parameter, I modified the code to fix the maximum absolute parameter.