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Issues: takafumi-shiraogawa/SimpleQC
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Use of the density matrix difference as the convergence criterion
good first issue
Good for newcomers
#14
opened Mar 31, 2023 by
takafumi-shiraogawa
Make the interface with ORBKIT
enhancement
New feature or request
#11
opened Dec 6, 2022 by
takafumi-shiraogawa
Löwdin charge analysis
good first issue
Good for newcomers
#8
opened Nov 24, 2022 by
takafumi-shiraogawa
Density matrix in CIS
enhancement
New feature or request
#5
opened Nov 23, 2022 by
takafumi-shiraogawa
Density matrix in MP2
enhancement
New feature or request
#4
opened Nov 23, 2022 by
takafumi-shiraogawa
ProTip!
Follow long discussions with comments:>50.