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8 * GROningen MAchine for Chemical Simulations
11 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
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44 #if (defined USE_X86_SSE_AND_3DNOW && !defined DOUBLE)
47 void vecinvsqrt_3dnow(float in
[],float out
[],int n
);
48 void vecrecip_3dnow(float in
[],float out
[],int n
);
51 void inl0100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
52 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
53 float faction
[],int type
[],int ntype
,float nbfp
[],
55 void inl0110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
56 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
57 float faction
[],int type
[],int ntype
,float nbfp
[],
58 float Vnb
[], int nsatoms
[]);
59 void inl0300_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
60 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
61 float faction
[],int type
[],int ntype
,float nbfp
[],
62 float Vnb
[],float tabscale
,float VFtab
[]);
63 void inl0310_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
64 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
65 float faction
[],int type
[],int ntype
,float nbfp
[],
66 float Vnb
[],float tabscale
,float VFtab
[], int nsatoms
[]);
67 void inl1000_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
68 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
69 float faction
[],float charge
[],float facel
,float Vc
[]);
70 void inl1010_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
71 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
72 float faction
[],float charge
[],float facel
, float Vc
[],
74 void inl1020_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
75 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
76 float faction
[],float charge
[],float facel
,float Vc
[]);
77 void inl1030_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
78 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
79 float faction
[],float charge
[],float facel
,float Vc
[]);
80 void inl1100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
81 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
82 float faction
[],float charge
[],float facel
,float Vc
[],
83 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
84 void inl1110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
85 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
86 float faction
[],float charge
[],float facel
,float Vc
[],
87 int type
[],int ntype
,float nbfp
[],float Vnb
[],
89 void inl1120_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
90 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
91 float faction
[],float charge
[],float facel
,float Vc
[],
92 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
93 void inl1130_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
94 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
95 float faction
[],float charge
[],float facel
,float Vc
[],
96 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
97 void inl3000_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
98 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
99 float faction
[],float charge
[],float facel
,float Vc
[],
100 float tabscale
,float VFtab
[]);
101 void inl3010_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
102 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
103 float faction
[],float charge
[],float facel
,float Vc
[],
104 float tabscale
,float VFtab
[], int nsatoms
[]);
105 void inl3020_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
106 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
107 float faction
[],float charge
[],float facel
,float Vc
[],
108 float tabscale
,float VFtab
[]);
109 void inl3030_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
110 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
111 float faction
[],float charge
[],float facel
,float Vc
[],
112 float tabscale
,float VFtab
[]);
113 void inl3100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
114 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
115 float faction
[],float charge
[],float facel
,float Vc
[],
116 int type
[],int ntype
,float nbfp
[],float Vnb
[],
117 float tabscale
, float VFtab
[]);
118 void inl3110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
119 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
120 float faction
[],float charge
[],float facel
,float Vc
[],
121 int type
[],int ntype
,float nbfp
[],float Vnb
[],
122 float tabscale
, float VFtab
[], int nsatoms
[]);
123 void inl3120_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
124 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
125 float faction
[],float charge
[],float facel
,float Vc
[],
126 int type
[],int ntype
,float nbfp
[],float Vnb
[],
127 float tabscale
, float VFtab
[]);
128 void inl3130_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
129 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
130 float faction
[],float charge
[],float facel
,float Vc
[],
131 int type
[],int ntype
,float nbfp
[],float Vnb
[],
132 float tabscale
, float VFtab
[]);
133 void inl3300_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
134 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
135 float faction
[],float charge
[],float facel
,float Vc
[],
136 int type
[],int ntype
,float nbfp
[],float Vnb
[],
137 float tabscale
,float VFtab
[]);
138 void inl3310_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
139 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
140 float faction
[],float charge
[],float facel
,float Vc
[],
141 int type
[],int ntype
,float nbfp
[],float Vnb
[],
142 float tabscale
,float VFtab
[], int nsatoms
[]);
143 void inl3320_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
144 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
145 float faction
[],float charge
[],float facel
,float Vc
[],
146 int type
[],int ntype
,float nbfp
[],float Vnb
[],
147 float tabscale
,float VFtab
[]);
148 void inl3330_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
149 float shiftvec
[],float fshift
[],int gid
[],float pos
[],
150 float faction
[],float charge
[],float facel
,float Vc
[],
151 int type
[],int ntype
,float nbfp
[],float Vnb
[],
152 float tabscale
,float VFtab
[]);
155 void mcinl0100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
156 float shiftvec
[],int gid
[],float pos
[],
157 int type
[],int ntype
,float nbfp
[],
159 void mcinl0110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
160 float shiftvec
[],int gid
[],float pos
[],
161 int type
[],int ntype
,float nbfp
[],
162 float Vnb
[], int nsatoms
[]);
163 void mcinl0300_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
164 float shiftvec
[],int gid
[],float pos
[],
165 int type
[],int ntype
,float nbfp
[],
166 float Vnb
[],float tabscale
,float VFtab
[]);
167 void mcinl0310_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
168 float shiftvec
[],int gid
[],float pos
[],
169 int type
[],int ntype
,float nbfp
[],
170 float Vnb
[],float tabscale
,float VFtab
[], int nsatoms
[]);
171 void mcinl1000_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
172 float shiftvec
[],int gid
[],float pos
[],
173 float charge
[],float facel
,float Vc
[]);
174 void mcinl1010_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
175 float shiftvec
[],int gid
[],float pos
[],
176 float charge
[],float facel
, float Vc
[],
178 void mcinl1020_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
179 float shiftvec
[],int gid
[],float pos
[],
180 float charge
[],float facel
,float Vc
[]);
181 void mcinl1030_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
182 float shiftvec
[],int gid
[],float pos
[],
183 float charge
[],float facel
,float Vc
[]);
184 void mcinl1100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
185 float shiftvec
[],int gid
[],float pos
[],
186 float charge
[],float facel
,float Vc
[],
187 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
188 void mcinl1110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
189 float shiftvec
[],int gid
[],float pos
[],
190 float charge
[],float facel
,float Vc
[],
191 int type
[],int ntype
,float nbfp
[],float Vnb
[],
193 void mcinl1120_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
194 float shiftvec
[],int gid
[],float pos
[],
195 float charge
[],float facel
,float Vc
[],
196 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
197 void mcinl1130_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
198 float shiftvec
[],int gid
[],float pos
[],
199 float charge
[],float facel
,float Vc
[],
200 int type
[],int ntype
,float nbfp
[],float Vnb
[]);
201 void mcinl3000_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
202 float shiftvec
[],int gid
[],float pos
[],
203 float charge
[],float facel
,float Vc
[],
204 float tabscale
,float VFtab
[]);
205 void mcinl3010_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
206 float shiftvec
[],int gid
[],float pos
[],
207 float charge
[],float facel
,float Vc
[],
208 float tabscale
,float VFtab
[], int nsatoms
[]);
209 void mcinl3020_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
210 float shiftvec
[],int gid
[],float pos
[],
211 float charge
[],float facel
,float Vc
[],
212 float tabscale
,float VFtab
[]);
213 void mcinl3030_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
214 float shiftvec
[],int gid
[],float pos
[],
215 float charge
[],float facel
,float Vc
[],
216 float tabscale
,float VFtab
[]);
217 void mcinl3100_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
218 float shiftvec
[],int gid
[],float pos
[],
219 float charge
[],float facel
,float Vc
[],
220 int type
[],int ntype
,float nbfp
[],float Vnb
[],
221 float tabscale
, float VFtab
[]);
222 void mcinl3110_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
223 float shiftvec
[],int gid
[],float pos
[],
224 float charge
[],float facel
,float Vc
[],
225 int type
[],int ntype
,float nbfp
[],float Vnb
[],
226 float tabscale
, float VFtab
[], int nsatoms
[]);
227 void mcinl3120_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
228 float shiftvec
[],int gid
[],float pos
[],
229 float charge
[],float facel
,float Vc
[],
230 int type
[],int ntype
,float nbfp
[],float Vnb
[],
231 float tabscale
, float VFtab
[]);
232 void mcinl3130_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
233 float shiftvec
[],int gid
[],float pos
[],
234 float charge
[],float facel
,float Vc
[],
235 int type
[],int ntype
,float nbfp
[],float Vnb
[],
236 float tabscale
, float VFtab
[]);
237 void mcinl3300_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
238 float shiftvec
[],int gid
[],float pos
[],
239 float charge
[],float facel
,float Vc
[],
240 int type
[],int ntype
,float nbfp
[],float Vnb
[],
241 float tabscale
,float VFtab
[]);
242 void mcinl3310_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
243 float shiftvec
[],int gid
[],float pos
[],
244 float charge
[],float facel
,float Vc
[],
245 int type
[],int ntype
,float nbfp
[],float Vnb
[],
246 float tabscale
,float VFtab
[], int nsatoms
[]);
247 void mcinl3320_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
248 float shiftvec
[],int gid
[],float pos
[],
249 float charge
[],float facel
,float Vc
[],
250 int type
[],int ntype
,float nbfp
[],float Vnb
[],
251 float tabscale
,float VFtab
[]);
252 void mcinl3330_3dnow(int nri
,int iinr
[],int jindex
[],int jjnr
[],int shift
[],
253 float shiftvec
[],int gid
[],float pos
[],
254 float charge
[],float facel
,float Vc
[],
255 int type
[],int ntype
,float nbfp
[],float Vnb
[],
256 float tabscale
,float VFtab
[]);