Feature: term-separated LCAO Hamiltonian atomic derivatives (dH)#7473
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maki49 wants to merge 14 commits into
Open
Feature: term-separated LCAO Hamiltonian atomic derivatives (dH)#7473maki49 wants to merge 14 commits into
maki49 wants to merge 14 commits into
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WARNING: Running pip as the 'root' user can result in broken permissions and conflicting behaviour with the system package manager. It is recommended to use a virtual environment instead: https://pip.pypa.io/warnings/venv
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