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Use of the density matrix difference as the convergence criterion

good first issueGood for newcomersGood for newcomers

Status: Open.

#14 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Mar 31, 2023

TDDFT and TDA

enhancementNew feature or requestNew feature or request

Status: Open.

#12 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Dec 6, 2022

Make the interface with ORBKIT

enhancementNew feature or requestNew feature or request

Status: Open.

#11 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Dec 6, 2022

Adding comments in the code

Status: Open.

#10 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Dec 2, 2022

Löwdin charge analysis

good first issueGood for newcomersGood for newcomers

Status: Open.

#8 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Nov 24, 2022

TDHF theory

enhancementNew feature or requestNew feature or request

Status: Open.

#7 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Nov 23, 2022

Refactoring

Status: Open.

#6 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Nov 23, 2022

Density matrix in CIS

enhancementNew feature or requestNew feature or request

Status: Open.

#5 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Nov 23, 2022

Density matrix in MP2

enhancementNew feature or requestNew feature or request

Status: Open.

#4 In takafumi-shiraogawa/SimpleQC;

· takafumi-shiraogawa opened on Nov 23, 2022