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fixed ch3cf3 zmatrix example
orientation parameter seems to be completely ignored
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1 changed files with 6 additions and 7 deletions
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@ -1,5 +1,5 @@
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%
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% $Id: geometry.tex,v 1.47 2004-04-22 04:50:28 edo Exp $
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% $Id: geometry.tex,v 1.48 2006-03-20 22:25:15 edo Exp $
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%
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\label{sec:geom}
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@ -634,11 +634,11 @@ geometry
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C
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C 1 CC
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H 1 CH1 2 HCH1
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H 1 CH2 2 HCH2 3 TOR1 0
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H 1 CH3 2 HCH3 3 -TOR2 0
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F 2 CF1 1 CCF1 3 TOR3 0
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F 2 CF2 1 CCF2 6 FCH1 1
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F 2 CF3 1 CCF3 6 FCH2 -1
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H 1 CH2 2 HCH2 3 TOR1
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H 1 CH3 2 HCH3 3 -TOR2
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F 2 CF1 1 CCF1 3 TOR3
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F 2 CF2 1 CCF2 6 FCH1
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F 2 CF3 1 CCF3 6 -FCH1
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variables
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CC 1.4888
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CH1 1.0790
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@ -658,7 +658,6 @@ geometry
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TOR2 109.3997
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TOR3 180.0000
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FCH1 106.7846
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FCH2 106.7842
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end
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end
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\end{verbatim}
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