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31 /*! \file nb_kernel210_power6.c
32 * \brief Wrapper for fortran nonbonded kernel 210
40 #include <types/simple.h>
43 #define F77_FUNC(name,NAME) name ## _
46 /* Declarations of Fortran routines.
47 * We avoid using underscores in F77 identifiers for portability!
50 F77_FUNC(pwr6kernel210
,PWR6KERNEL210
)
51 (int * nri
, int * iinr
,
52 int * jindex
, int * jjnr
,
53 int * shift
, real
* shiftvec
,
54 real
* fshift
, int * gid
,
55 real
* pos
, real
* faction
,
56 real
* charge
, real
* facel
,
57 real
* krf
, real
* crf
,
58 real
* Vc
, int * type
,
59 int * ntype
, real
* vdwparam
,
60 real
* Vvdw
, real
* tabscale
,
61 real
* VFtab
, real
* invsqrta
,
62 real
* dvda
, real
* gbtabscale
,
63 real
* GBtab
, int * nthreads
,
64 int * count
, void * mtx
,
65 int * outeriter
, int * inneriter
,
69 F77_FUNC(pwr6kernel210nf
,PWR6KERNEL210NF
)
70 (int * nri
, int * iinr
,
71 int * jindex
, int * jjnr
,
72 int * shift
, real
* shiftvec
,
73 real
* fshift
, int * gid
,
74 real
* pos
, real
* faction
,
75 real
* charge
, real
* facel
,
76 real
* krf
, real
* crf
,
77 real
* Vc
, int * type
,
78 int * ntype
, real
* vdwparam
,
79 real
* Vvdw
, real
* tabscale
,
80 real
* VFtab
, real
* invsqrta
,
81 real
* dvda
, real
* gbtabscale
,
82 real
* GBtab
, int * nthreads
,
83 int * count
, void * mtx
,
84 int * outeriter
, int * inneriter
,
90 (int * nri
, int * iinr
,
91 int * jindex
, int * jjnr
,
92 int * shift
, real
* shiftvec
,
93 real
* fshift
, int * gid
,
94 real
* pos
, real
* faction
,
95 real
* charge
, real
* facel
,
96 real
* krf
, real
* crf
,
97 real
* Vc
, int * type
,
98 int * ntype
, real
* vdwparam
,
99 real
* Vvdw
, real
* tabscale
,
100 real
* VFtab
, real
* invsqrta
,
101 real
* dvda
, real
* gbtabscale
,
102 real
* GBtab
, int * nthreads
,
103 int * count
, void * mtx
,
104 int * outeriter
, int * inneriter
,
107 F77_FUNC(pwr6kernel210
,PWR6KERNEL210
)
108 (nri
,iinr
,jindex
,jjnr
,shift
,shiftvec
,fshift
,gid
,pos
,faction
,
109 charge
,facel
,krf
,crf
,Vc
,type
,ntype
,vdwparam
,Vvdw
,tabscale
,
110 VFtab
,invsqrta
,dvda
,gbtabscale
,GBtab
,nthreads
,count
,mtx
,
111 outeriter
,inneriter
,work
);
117 nb_kernel210nf_power6
118 (int * nri
, int iinr
[],
119 int jindex
[], int jjnr
[],
120 int shift
[], real shiftvec
[],
121 real fshift
[], int gid
[],
122 real pos
[], real faction
[],
123 real charge
[], real
* facel
,
124 real
* krf
, real
* crf
,
125 real Vc
[], int type
[],
126 int * ntype
, real vdwparam
[],
127 real Vvdw
[], real
* tabscale
,
128 real VFtab
[], real invsqrta
[],
129 real dvda
[], real
* gbtabscale
,
130 real GBtab
[], int * nthreads
,
131 int * count
, void * mtx
,
132 int * outeriter
, int * inneriter
,
135 F77_FUNC(pwr6kernel210nf
,PWR6KERNEL210NF
)
136 (nri
,iinr
,jindex
,jjnr
,shift
,shiftvec
,fshift
,gid
,pos
,faction
,
137 charge
,facel
,krf
,crf
,Vc
,type
,ntype
,vdwparam
,Vvdw
,tabscale
,
138 VFtab
,invsqrta
,dvda
,gbtabscale
,GBtab
,nthreads
,count
,mtx
,
139 outeriter
,inneriter
,work
);