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few modif
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@ -239,7 +239,7 @@
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print *, ' nucl = ', nucl_label(i_nucl)
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print *, ' nucl = ', nucl_label(i_nucl)
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print *, ' ee-term = ', jBH_ee(i_nucl)
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print *, ' ee-term = ', jBH_ee(i_nucl)
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print *, ' en-term = ', jBH_en(i_nucl)
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print *, ' en-term = ', jBH_en(i_nucl)
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print *, 'm n o c'
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print *, ' m n o c'
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do p = 1, jBH_size
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do p = 1, jBH_size
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write(*,'(3(I4,2x), E15.7)') jBH_m(p,i_nucl), jBH_n(p,i_nucl), jBH_o(p,i_nucl), jBH_c(p,i_nucl)
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write(*,'(3(I4,2x), E15.7)') jBH_m(p,i_nucl), jBH_n(p,i_nucl), jBH_o(p,i_nucl), jBH_c(p,i_nucl)
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enddo
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enddo
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@ -2,3 +2,10 @@
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type: Threshold
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type: Threshold
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doc: Energy bi-tc HF
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doc: Energy bi-tc HF
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interface: ezfio
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interface: ezfio
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[converged_tcscf]
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type: logical
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doc: If |true|, tc-scf has converged
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interface: ezfio,provider,ocaml
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default: False
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