Commit b4d53b0c authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix in cdn_io + increase maximal position factor in w_inpXML

parent 68883baf
......@@ -1246,8 +1246,8 @@ MODULE m_cdn_io
CALL closeCDNPOT_HDF(fileID)
startNumber = 1
endNumber = lastDensityIndex - 1
END IF
#endif
END IF
END IF
ELSE
DO i = 1, LEN(TRIM(ADJUSTL(ddString)))
......
......@@ -542,7 +542,7 @@ SUBROUTINE w_inpXML(&
tempTaual(2,na) = atoms%taual(2,na)
tempTaual(3,na) = atoms%taual(3,na)
scpos = 1.0
DO i = 2,9
DO i = 2,40
rest = ABS(i*tempTaual(1,na) - NINT(i*tempTaual(1,na)))
IF ((scpos(1).EQ.1.0).AND.(rest.LT.(i*0.000001))) scpos(1) = real(i)
rest = ABS(i*tempTaual(2,na) - NINT(i*tempTaual(2,na)))
......
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