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AOtoMO
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dgemm for GHF AOtoMO transformation
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2023-11-24 10:51:31 +01:00 |
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CC
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clean up print excitation energy
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2023-11-22 10:07:23 +01:00 |
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CI
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fix bug in AOtoMO transform for UHF
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2023-11-22 14:54:05 +01:00 |
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GF
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timing in ufG0W0
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2023-11-27 09:56:32 +01:00 |
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GT
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clean up AOtoMO transform
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2023-11-22 17:02:46 +01:00 |
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GW
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commit RG0W0
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2023-11-27 10:02:33 +01:00 |
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HF
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clean up AOtoMO transform
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2023-11-22 17:02:46 +01:00 |
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LR
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commit RG0W0
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2023-11-27 10:02:33 +01:00 |
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MP
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modify print in test
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2023-11-14 14:31:27 +01:00 |
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QuAcK
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clean up AOtoMO transform
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2023-11-22 17:02:46 +01:00 |
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RPA
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fix bug in AOtoMO transform for UHF
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2023-11-22 14:54:05 +01:00 |
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test
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add more test in HF
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2023-11-12 23:02:20 +01:00 |
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utils
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fix scf convergence issues in RHF, UHF, ROHF and GHF
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2023-11-17 00:26:44 +01:00 |
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.gitignore
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int directory
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2020-10-13 20:59:03 +02:00 |
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eDFT.tgz
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remove eDFT
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2023-07-03 14:41:46 +02:00 |
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make_ninja.py
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commit RG0W0
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2023-11-27 10:02:33 +01:00 |
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Makefile
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Linux
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2020-10-14 17:09:07 +02:00 |
