From: hackbard Date: Sun, 31 Aug 2008 15:52:14 +0000 (+0200) Subject: new pse handling X-Git-Url: https://hackdaworld.org/cgi-bin/gitweb.cgi?a=commitdiff_plain;h=21a29b60a222f81c311d0a3b85ccafa92c8b1279;p=physik%2Fposic.git new pse handling --- diff --git a/mdrun.c b/mdrun.c index 5899901..dd8679e 100644 --- a/mdrun.c +++ b/mdrun.c @@ -17,6 +17,11 @@ #include "potentials/tersoff.h" #endif +/* pse */ +#define PSE_MASS +#include "pse.h" +#undef PSE_MASS + #define ME "[mdrun]" /* diff --git a/pse.h b/pse.h index 3391d26..c746f2d 100644 --- a/pse.h +++ b/pse.h @@ -7,6 +7,7 @@ #include "moldyn.h" +#ifdef PSE_MASS static double pse_mass[]={ 0, 0, @@ -28,7 +29,9 @@ static double pse_mass[]={ 0, 0, }; +#endif +#ifdef PSE_LC static double pse_lc[]={ 0, 0, @@ -50,7 +53,9 @@ static double pse_lc[]={ 0, 0, }; +#endif +#ifdef PSE_NAME static char *pse_name[]={ "*", "H", @@ -72,7 +77,9 @@ static char *pse_name[]={ "Cl", "Ar", }; +#endif +#ifdef PSE_COL static char *pse_col[]={ "*", "White", @@ -94,4 +101,5 @@ static char *pse_col[]={ "Cl", "Ar", }; +#endif