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(Empty) | |
| 1 diff -Naurb src2/analyze.c src/analyze.c |
| 2 --- src2/analyze.c 2016-08-12 23:25:14.297791577 -0700 |
| 3 +++ src/analyze.c 2016-08-12 23:33:39.069342515 -0700 |
| 4 @@ -31,7 +31,7 @@ |
| 5 */ |
| 6 |
| 7 void analyze( vfs,nfs,ilow,ihigh,op ) |
| 8 -int (*vfs[])(); |
| 9 +int (*vfs[])(float*, float); |
| 10 int nfs; |
| 11 FILE *op; |
| 12 int ilow,ihigh; |
| 13 diff -Naurb src2/animate.c src/animate.c |
| 14 --- src2/animate.c 2016-08-12 23:25:14.297791577 -0700 |
| 15 +++ src/animate.c 2016-08-12 23:36:18.867733418 -0700 |
| 16 @@ -153,7 +153,7 @@ |
| 17 * perform nstep leapfrogging dynamics with dtime |
| 18 */ |
| 19 int verlet(forces,nforces, nstep,dtime) |
| 20 -int (*forces[])(),nforces; |
| 21 +int (*forces[])(float),nforces; |
| 22 int nstep; |
| 23 float dtime; |
| 24 { |
| 25 @@ -219,7 +219,7 @@ |
| 26 * ideally several cycles are good |
| 27 */ |
| 28 int pac(forces,nforces, nstep,dtime) |
| 29 -int (*forces[])(),nforces; |
| 30 +int (*forces[])(float),nforces; |
| 31 int nstep; |
| 32 float dtime; |
| 33 { |
| 34 @@ -317,7 +317,7 @@ |
| 35 * |
| 36 */ |
| 37 int tpac(forces,nforces, nstep,dtime_real,T) |
| 38 -int (*forces[])(),nforces; |
| 39 +int (*forces[])(float),nforces; |
| 40 int nstep; |
| 41 float dtime_real,T; |
| 42 { |
| 43 @@ -437,7 +437,7 @@ |
| 44 * ideally several cycles are good |
| 45 */ |
| 46 int pacpac(forces,nforces, nstep,dtime) |
| 47 -int (*forces[])(),nforces; |
| 48 +int (*forces[])(float),nforces; |
| 49 int nstep; |
| 50 float dtime; |
| 51 { |
| 52 @@ -586,7 +586,7 @@ |
| 53 * ideally several cycles are good |
| 54 */ |
| 55 int hpac(forces,poten,nforces,nstep,dtime_real,H) |
| 56 -int (*forces[])(),(*poten[])(),nforces; |
| 57 +int (*forces[])(float),(*poten[])(float*, float),nforces; |
| 58 int nstep; |
| 59 float dtime_real,H; |
| 60 { |
| 61 @@ -724,7 +724,7 @@ |
| 62 * ideally several cycles are good |
| 63 */ |
| 64 int ppac(forces,nforces, nstep,dtime_real,P) |
| 65 -int (*forces[])(),nforces; |
| 66 +int (*forces[])(float),nforces; |
| 67 int nstep; |
| 68 float dtime_real,P; |
| 69 { |
| 70 @@ -878,7 +878,7 @@ |
| 71 * ideally several cycles are good |
| 72 */ |
| 73 int ptpac(forces,nforces, nstep,dtime_real,P,T) |
| 74 -int (*forces[])(),nforces; |
| 75 +int (*forces[])(float),nforces; |
| 76 int nstep; |
| 77 float dtime_real,P,T; |
| 78 { |
| 79 diff -Naurb src2/eval.c src/eval.c |
| 80 --- src2/eval.c 2016-08-12 23:25:14.297791577 -0700 |
| 81 +++ src/eval.c 2016-08-12 23:28:59.113153303 -0700 |
| 82 @@ -264,7 +264,7 @@ |
| 83 * current version lexes tokens and if numeric |
| 84 * converts them to integer and floating point versions |
| 85 */ |
| 86 - int (*potentials[10])(),(*forces[10])(),nused=(-1); |
| 87 + int (*potentials[10])(float*, float),(*forces[10])(float),nused=(-1); |
| 88 int eval( ip,op,line ) |
| 89 FILE *ip,*op; |
| 90 char *line; |
| 91 diff -Naurb src2/gsdg.c src/gsdg.c |
| 92 --- src2/gsdg.c 2016-08-12 23:25:14.297791577 -0700 |
| 93 +++ src/gsdg.c 2016-08-12 23:35:06.370648743 -0700 |
| 94 @@ -29,7 +29,7 @@ |
| 95 #include "ammp.h" |
| 96 |
| 97 void gsdg( vfs,nfs,niter,low_serial,high_serial ) |
| 98 -int (*vfs[])(),nfs; |
| 99 +int (*vfs[])(float*, float),nfs; |
| 100 int niter; |
| 101 int low_serial,high_serial; |
| 102 { |
| 103 diff -Naurb src2/math.c src/math.c |
| 104 --- src2/math.c 2016-08-12 23:25:14.297791577 -0700 |
| 105 +++ src/math.c 2016-08-12 23:25:27.997996449 -0700 |
| 106 @@ -298,7 +298,7 @@ |
| 107 if( strcmp( &tokens[0][0], "randf" ) == 0 ) |
| 108 { |
| 109 atype = FLOAT; |
| 110 - fa = randf( -1 ); |
| 111 + fa = randf(); |
| 112 goto GOOD_OP; |
| 113 } |
| 114 if( strcmp( &tokens[0][0], "serial" ) == 0 ) |
| 115 diff -Naurb src2/monitor.c src/monitor.c |
| 116 --- src2/monitor.c 2016-08-12 23:25:14.297791577 -0700 |
| 117 +++ src/monitor.c 2016-08-12 23:33:09.940906673 -0700 |
| 118 @@ -33,7 +33,7 @@ |
| 119 * but otherwise is self-contained. Note the hooks for Non-bonded potentials |
| 120 */ |
| 121 void AMMPmonitor( vfs,ffs,nfs,op ) |
| 122 -int (*vfs[])(),(*ffs[])(); |
| 123 +int (*vfs[])(float*, float),(*ffs[])(float); |
| 124 int nfs; |
| 125 FILE *op; |
| 126 { |
| 127 @@ -143,7 +143,7 @@ |
| 128 } |
| 129 |
| 130 void AMMPmonitor_mute( vfs,ffs,nfs,op ) |
| 131 -int (*vfs[])(),(*ffs[])(); |
| 132 +int (*vfs[])(float*, float),(*ffs[])(float); |
| 133 int nfs; |
| 134 FILE *op; |
| 135 { |
| 136 diff -Naurb src2/optimist.c src/optimist.c |
| 137 --- src2/optimist.c 2016-08-12 23:25:14.297791577 -0700 |
| 138 +++ src/optimist.c 2016-08-12 23:36:54.856271851 -0700 |
| 139 @@ -42,7 +42,7 @@ |
| 140 * when to stop |
| 141 */ |
| 142 int steep( vfs,ffs,nfs, nstep,toler ) |
| 143 -int nfs,(*vfs[])(),(*ffs[])(); |
| 144 +int nfs,(*vfs[])(float*, float),(*ffs[])(float); |
| 145 int nstep; |
| 146 float toler; |
| 147 { |
| 148 @@ -97,7 +97,7 @@ |
| 149 * when to stop |
| 150 */ |
| 151 int cngdel( vfs,ffs,nfs, nstep,nreset,toler,echo ) |
| 152 -int nfs,(*vfs[])(),(*ffs[])(); |
| 153 +int nfs,(*vfs[])(float*, float),(*ffs[])(float); |
| 154 int nstep,nreset; |
| 155 float toler; |
| 156 { |
| 157 @@ -164,7 +164,7 @@ |
| 158 * recursive line minimizer |
| 159 */ |
| 160 float linmin(ffs,nfs ,damp ) |
| 161 -int (*ffs[])(); |
| 162 +int (*ffs[])(float*, float); |
| 163 int nfs; |
| 164 float damp; |
| 165 |
| 166 diff -Naurb src2/tset.c src/tset.c |
| 167 --- src2/tset.c 2016-08-12 23:25:14.297791577 -0700 |
| 168 +++ src/tset.c 2016-08-12 23:35:38.003122023 -0700 |
| 169 @@ -107,11 +107,11 @@ |
| 170 return 0; |
| 171 }/* end of tset */ |
| 172 #ifdef NEWCCALL |
| 173 -int tmin( FILE *op, int echo ,int i1,int i2,int i3,int i4,int nstep, int (*vfs[
])(),int nfs ) |
| 174 +int tmin( FILE *op, int echo ,int i1,int i2,int i3,int i4,int nstep, int (*vfs[
])(float*, float),int nfs ) |
| 175 #else |
| 176 int tmin(op,echo, i1,i2,i3,i4,nstep, vfs,nfs ) |
| 177 int i1,i2,i3,i4,nstep; |
| 178 -int (*vfs[])(); |
| 179 +int (*vfs[])(float*, float); |
| 180 FILE *op; |
| 181 int echo,nfs; |
| 182 #endif |
| 183 @@ -352,14 +352,14 @@ |
| 184 return 1; |
| 185 }/* end of set_torsion */ |
| 186 #ifdef NEWCCALL |
| 187 -int tmap( FILE *op, int echo, int (*vfs[])(),int nfs,int i1,int i2,int i3,int i
4, |
| 188 +int tmap( FILE *op, int echo, int (*vfs[])(float*, float),int nfs,int i1,int i2
,int i3,int i4, |
| 189 int j1 , int j2 ,int j3, int j4 , int nistep, int njstep) |
| 190 #else |
| 191 int tmap(op,echo,vfs,nfs,i1,i2,i3,i4,j1,j2,j3,j4,nistep,njstep ) |
| 192 int i1,i2,i3,i4; |
| 193 int j1,j2,j3,j4; |
| 194 int nistep,njstep; |
| 195 -int (*vfs[])(),nfs; |
| 196 +int (*vfs[])(float*, float),nfs; |
| 197 FILE *op; |
| 198 int echo; |
| 199 #endif |
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