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patch to enable rotation of the constraints basis (test in progress!)
[physik/posic.git]
/
pse.h
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/*
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* pse.h - elemnts specific stuff
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*
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* author: Frank Zirkelbach <frank.zirkelbach@physik.uni-augsburg.de>
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*
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*/
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#include "moldyn.h"
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#ifdef PSE_MASS
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static double pse_mass[]={
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0,
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0,
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0,
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0,
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0,
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0,
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M_C,
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0,
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0,
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0,
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0,
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0,
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0,
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0,
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M_SI,
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0,
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0,
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0,
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0,
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};
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#endif
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#ifdef PSE_LC
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static double pse_lc[]={
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0,
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0,
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0,
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0,
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0,
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0,
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LC_C,
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0,
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0,
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0,
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0,
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0,
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0,
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0,
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LC_SI,
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0,
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0,
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0,
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0,
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};
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#endif
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#ifdef PSE_NAME
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static char *pse_name[]={
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"*",
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"H",
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"He",
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"Li",
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"Be",
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"B",
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"C",
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"N",
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"O",
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"F",
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"Ne",
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"Na",
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"Mg",
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"Al",
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"Si",
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"P",
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"S",
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"Cl",
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"Ar",
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};
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#endif
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#ifdef PSE_COL
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static char *pse_col[]={
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"*",
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"White",
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"He",
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"Li",
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"Be",
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"B",
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"Gray",
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"N",
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"Blue",
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"F",
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"Ne",
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"Na",
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"Mg",
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"Al",
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"Yellow",
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"P",
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"S",
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"Cl",
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"Ar",
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};
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#endif
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