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bug fix in sf-BSE-dyn
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@ -1,5 +1,5 @@
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# nAt nEla nElb nCore nRyd
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# nAt nEla nElb nCore nRyd
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3 8 8 0 0
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3 9 7 0 0
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# Znuc x y z
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# Znuc x y z
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H 1.18163475 0.00000000 -1.17386890
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H 1.18163475 0.00000000 -1.17386890
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N -0.44776863 0.00000000 -0.03589263
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N -0.44776863 0.00000000 -0.03589263
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@ -1,5 +1,5 @@
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# HF: maxSCF thresh DIIS n_diis guess_type ortho_type
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# HF: maxSCF thresh DIIS n_diis guess_type ortho_type
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64 0.0000001 T 5 1 1
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128 0.00001 T 3 1 1
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# MP:
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# MP:
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# CC: maxSCF thresh DIIS n_diis
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# CC: maxSCF thresh DIIS n_diis
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