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commit
95638079d7
2
external/qp2-dependencies
vendored
2
external/qp2-dependencies
vendored
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Subproject commit bc856147f6e626a6616b20344e5b8e3f30f44a92
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Subproject commit 90ee61f5041c7c94a0c605625a264860292813a0
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@ -64,13 +64,11 @@ subroutine convertWFfromDETtoCSF(N_st,psi_coef_det_in, psi_coef_cfg_out)
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s = s + popcnt(psi_configuration(k,1,i))
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enddo
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bfIcfg = max(1,nint((binom(s,(s+1)/2)-binom(s,((s+1)/2)+1))))
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! if(iand(s,1) .EQ. 0) then
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! bfIcfg = max(1,nint((binom(s,s/2)-binom(s,(s/2)+1))))
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! else
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! bfIcfg = max(1,nint((binom(s,(s+1)/2)-binom(s,((s+1)/2)+1))))
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! endif
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if(iand(s,1) .EQ. 0) then
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bfIcfg = max(1,nint((binom(s,s/2)-binom(s,(s/2)+1))))
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else
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bfIcfg = max(1,nint((binom(s,(s+1)/2)-binom(s,((s+1)/2)+1))))
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endif
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! perhaps blocking with CFGs of same seniority
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! can be more efficient
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