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Merge pull request #172 from v1j4y/fixNcsfCalculation

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Fix for `Floating-point exception` during the calculation of Ncsf
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Anthony Scemama 2021-07-28 14:13:40 +02:00 committed by GitHub
commit 820e58c6fe
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1 changed files with 23 additions and 17 deletions
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40
src/csf/sigma_vector.irp.f
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@ -56,24 +56,30 @@
endif endif
endif endif
ncfg = ncfgpersomo - ncfgprev ncfg = ncfgpersomo - ncfgprev
if(iand(MS,1) .EQ. 0) then if(i .EQ. 0 .OR. i .EQ. 1) then
!dimcsfpercfg = max(1,nint((binom(i,i/2)-binom(i,i/2+1)))) dimcsfpercfg = 1
binom1 = dexp(logabsgamma(1.0d0*(i+1)) & elseif( i .EQ. 3) then
- logabsgamma(1.0d0*((i/2)+1)) & dimcsfpercfg = 2
- logabsgamma(1.0d0*(i-((i/2))+1)));
binom2 = dexp(logabsgamma(1.0d0*(i+1)) &
- logabsgamma(1.0d0*(((i/2)+1)+1)) &
- logabsgamma(1.0d0*(i-((i/2)+1)+1)));
dimcsfpercfg = max(1,nint(binom1 - binom2))
else else
!dimcsfpercfg = max(1,nint((binom(i,(i+1)/2)-binom(i,(i+3)/2)))) if(iand(MS,1) .EQ. 0) then
binom1 = dexp(logabsgamma(1.0d0*(i+1)) & !dimcsfpercfg = max(1,nint((binom(i,i/2)-binom(i,i/2+1))))
- logabsgamma(1.0d0*(((i+1)/2)+1)) & binom1 = dexp(logabsgamma(1.0d0*(i+1)) &
- logabsgamma(1.0d0*(i-(((i+1)/2))+1))); - logabsgamma(1.0d0*((i/2)+1)) &
binom2 = dexp(logabsgamma(1.0d0*(i+1)) & - logabsgamma(1.0d0*(i-((i/2))+1)));
- logabsgamma(1.0d0*((((i+3)/2)+1)+1)) & binom2 = dexp(logabsgamma(1.0d0*(i+1)) &
- logabsgamma(1.0d0*(i-(((i+3)/2)+1)+1))); - logabsgamma(1.0d0*(((i/2)+1)+1)) &
dimcsfpercfg = max(1,nint(binom1 - binom2)) - logabsgamma(1.0d0*(i-((i/2)+1)+1)));
dimcsfpercfg = max(1,nint(binom1 - binom2))
else
!dimcsfpercfg = max(1,nint((binom(i,(i+1)/2)-binom(i,(i+3)/2))))
binom1 = dexp(logabsgamma(1.0d0*(i+1)) &
- logabsgamma(1.0d0*(((i+1)/2)+1)) &
- logabsgamma(1.0d0*(i-(((i+1)/2))+1)));
binom2 = dexp(logabsgamma(1.0d0*(i+1)) &
- logabsgamma(1.0d0*((((i+3)/2)+1)+1)) &
- logabsgamma(1.0d0*(i-(((i+3)/2)+1)+1)));
dimcsfpercfg = max(1,nint(binom1 - binom2))
endif
endif endif
n_CSF += ncfg * dimcsfpercfg n_CSF += ncfg * dimcsfpercfg
if(cfg_seniority_index(i+2) > ncfgprev) then if(cfg_seniority_index(i+2) > ncfgprev) then