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qcg_freq printout correction (#301)
2 parents 7c6807c + 917eeef commit d4eb649

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src/qcg/solvtool.f90

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -2127,7 +2127,7 @@ subroutine qcg_freq(env, tim, solu, solv, solu_ens, solv_ens)
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write (*, *) ' Solute Gas properties'
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call pr_freq_energy()
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open (newunit=ich56, file='solute.dat')
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call pr_freq_file(56)
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call pr_freq_file(ich56)
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write (*, '(2x,5f10.2)') ht(3), svib(3), srot(3), stra(3), gt(3)
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write (ich56, '(2x,5f10.2)') ht(3), svib(3), srot(3), stra(3), gt(3)
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close (ich56)

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