NEWTONX interface - writing CP2K output #1794
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mkrack
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Dec 10, 2021
src/qs_tddfpt2_restart.F
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| CALL cp_fm_column_scale(evects(ispin, istate)%matrix, gs_mos(ispin)%phases_occ) | ||
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| IF (ounit > 0) THEN | ||
| WRITE (ounit, "(A)") " " |
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What is the point of these blanks?
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None, sorry, I will remove them.
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If you just want an empty line before a header use
WRITE (ounit, "(/,A)") "ES EIGENVECTORS SIZE"
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I will recommit in a second
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I adjusted now, thanks :)
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This is a small change to write output for the NEWTONX interface.