PTEROSOR/QuantumPackage
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1,743 Commits 29 Branches 18 Tags 57 MiB
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5 Commits

Author SHA1 Message Date
AbdAmmar
e3d8e28e23 TC-SCF: no rotations for good angles 2023-05-18 20:57:55 +02:00
Abdallah Ammar
19f2ede59c check TC energy after rotations 2023-05-13 21:43:01 +02:00
Abdallah Ammar
e25436de8d minor modif 2023-05-01 09:15:58 +02:00
eginer
cc16cea1b0 cleaning in tc_scf 2023-02-07 16:45:10 +01:00
eginer
a4bb488d64 tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh 2023-02-06 19:26:58 +01:00