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Changed the format for the line in struct_enum.out that prints out the equivalent atoms so that it doesn't wrap at 40 atoms. This was breaking the makeStr.py script
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Lines changed: 2 additions & 2 deletions

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src/derivative_structure_generator.f90

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1269,7 +1269,7 @@ SUBROUTINE gen_multilattice_derivatives(title, parLV, nDFull, dFull, k, nMin, nM
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! Beginning of main routine for enumeration
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open(23,file="VERSION.enum")
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write(23,'(A)') "v2.0.4-67-g6e2d-dirty"
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write(23,'(A)') "v2.0.4-70-g0195-dirty"
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close(23)
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![TODO] Get rid of all the junk that crept in (writing files, making inactives table, etc. These should all be in routines so that this main routine is still readable)
@@ -1353,7 +1353,7 @@ SUBROUTINE gen_multilattice_derivatives(title, parLV, nDFull, dFull, k, nMin, nM
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endif
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if (full) then; write(14,'("full list of labelings (including incomplete labelings) is used")')
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else; write(14,'("partial list of labelings (complete labelings only) is used")'); endif
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write(14,'("(Non)Equivalency list:" ,40(I2,1x))') equivalencies(:)
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write(14,'("(Non)Equivalency list:" ,1000(I2,1x))') equivalencies(:)
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!write(14,'("Symmetry of the primary lattice is of order ",i2)')
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