Merge branch 'master' into hbond
[gromacs/qmmm-gamess-us.git] / src / tools / polynomials.c
blob310d365365be31b75e80199a376eb5cd4f304f18
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35 #ifdef HAVE_CONFIG_H
36 #include <config.h>
37 #endif
39 #include <stdio.h>
40 #include <math.h>
41 #include "typedefs.h"
42 #include "gmx_fatal.h"
43 #include "gstat.h"
45 real LegendreP(real x,unsigned long m)
48 real polynomial=0,x2,x3;
50 switch (m) {
51 case eacP0:
52 polynomial=1.0;
53 break;
54 case eacP1:
55 polynomial=x;
56 break;
57 case eacP2:
58 x2=x*x;
59 polynomial=1.5*x2 - 0.5;
60 break;
61 case eacP3:
62 x2=x*x;
63 polynomial=(35*x2*x2 - 30*x2 + 3)/8;
64 break;
65 case eacP4:
66 x2=x*x;
67 x3=x2*x;
68 polynomial=(63*x3*x2 - 70*x3 + 15*x)/8;
69 break;
70 default:
71 gmx_fatal(FARGS,"Legendre polynomials of order %d are not supported, %s %d",
72 m,__FILE__,__LINE__);
74 return (polynomial);