| Index: tests/spec2k/188.ammp/diff
|
| diff --git a/tests/spec2k/188.ammp/diff b/tests/spec2k/188.ammp/diff
|
| new file mode 100644
|
| index 0000000000000000000000000000000000000000..2c7fe0f451e699492d6c75377583db6b2214a766
|
| --- /dev/null
|
| +++ b/tests/spec2k/188.ammp/diff
|
| @@ -0,0 +1,199 @@
|
| +diff -Naurb src2/analyze.c src/analyze.c
|
| +--- src2/analyze.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/analyze.c 2016-08-12 23:33:39.069342515 -0700
|
| +@@ -31,7 +31,7 @@
|
| + */
|
| +
|
| + void analyze( vfs,nfs,ilow,ihigh,op )
|
| +-int (*vfs[])();
|
| ++int (*vfs[])(float*, float);
|
| + int nfs;
|
| + FILE *op;
|
| + int ilow,ihigh;
|
| +diff -Naurb src2/animate.c src/animate.c
|
| +--- src2/animate.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/animate.c 2016-08-12 23:36:18.867733418 -0700
|
| +@@ -153,7 +153,7 @@
|
| + * perform nstep leapfrogging dynamics with dtime
|
| + */
|
| + int verlet(forces,nforces, nstep,dtime)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime;
|
| + {
|
| +@@ -219,7 +219,7 @@
|
| + * ideally several cycles are good
|
| + */
|
| + int pac(forces,nforces, nstep,dtime)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime;
|
| + {
|
| +@@ -317,7 +317,7 @@
|
| + *
|
| + */
|
| + int tpac(forces,nforces, nstep,dtime_real,T)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime_real,T;
|
| + {
|
| +@@ -437,7 +437,7 @@
|
| + * ideally several cycles are good
|
| + */
|
| + int pacpac(forces,nforces, nstep,dtime)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime;
|
| + {
|
| +@@ -586,7 +586,7 @@
|
| + * ideally several cycles are good
|
| + */
|
| + int hpac(forces,poten,nforces,nstep,dtime_real,H)
|
| +-int (*forces[])(),(*poten[])(),nforces;
|
| ++int (*forces[])(float),(*poten[])(float*, float),nforces;
|
| + int nstep;
|
| + float dtime_real,H;
|
| + {
|
| +@@ -724,7 +724,7 @@
|
| + * ideally several cycles are good
|
| + */
|
| + int ppac(forces,nforces, nstep,dtime_real,P)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime_real,P;
|
| + {
|
| +@@ -878,7 +878,7 @@
|
| + * ideally several cycles are good
|
| + */
|
| + int ptpac(forces,nforces, nstep,dtime_real,P,T)
|
| +-int (*forces[])(),nforces;
|
| ++int (*forces[])(float),nforces;
|
| + int nstep;
|
| + float dtime_real,P,T;
|
| + {
|
| +diff -Naurb src2/eval.c src/eval.c
|
| +--- src2/eval.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/eval.c 2016-08-12 23:28:59.113153303 -0700
|
| +@@ -264,7 +264,7 @@
|
| + * current version lexes tokens and if numeric
|
| + * converts them to integer and floating point versions
|
| + */
|
| +- int (*potentials[10])(),(*forces[10])(),nused=(-1);
|
| ++ int (*potentials[10])(float*, float),(*forces[10])(float),nused=(-1);
|
| + int eval( ip,op,line )
|
| + FILE *ip,*op;
|
| + char *line;
|
| +diff -Naurb src2/gsdg.c src/gsdg.c
|
| +--- src2/gsdg.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/gsdg.c 2016-08-12 23:35:06.370648743 -0700
|
| +@@ -29,7 +29,7 @@
|
| + #include "ammp.h"
|
| +
|
| + void gsdg( vfs,nfs,niter,low_serial,high_serial )
|
| +-int (*vfs[])(),nfs;
|
| ++int (*vfs[])(float*, float),nfs;
|
| + int niter;
|
| + int low_serial,high_serial;
|
| + {
|
| +diff -Naurb src2/math.c src/math.c
|
| +--- src2/math.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/math.c 2016-08-12 23:25:27.997996449 -0700
|
| +@@ -298,7 +298,7 @@
|
| + if( strcmp( &tokens[0][0], "randf" ) == 0 )
|
| + {
|
| + atype = FLOAT;
|
| +- fa = randf( -1 );
|
| ++ fa = randf();
|
| + goto GOOD_OP;
|
| + }
|
| + if( strcmp( &tokens[0][0], "serial" ) == 0 )
|
| +diff -Naurb src2/monitor.c src/monitor.c
|
| +--- src2/monitor.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/monitor.c 2016-08-12 23:33:09.940906673 -0700
|
| +@@ -33,7 +33,7 @@
|
| + * but otherwise is self-contained. Note the hooks for Non-bonded potentials
|
| + */
|
| + void AMMPmonitor( vfs,ffs,nfs,op )
|
| +-int (*vfs[])(),(*ffs[])();
|
| ++int (*vfs[])(float*, float),(*ffs[])(float);
|
| + int nfs;
|
| + FILE *op;
|
| + {
|
| +@@ -143,7 +143,7 @@
|
| + }
|
| +
|
| + void AMMPmonitor_mute( vfs,ffs,nfs,op )
|
| +-int (*vfs[])(),(*ffs[])();
|
| ++int (*vfs[])(float*, float),(*ffs[])(float);
|
| + int nfs;
|
| + FILE *op;
|
| + {
|
| +diff -Naurb src2/optimist.c src/optimist.c
|
| +--- src2/optimist.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/optimist.c 2016-08-12 23:36:54.856271851 -0700
|
| +@@ -42,7 +42,7 @@
|
| + * when to stop
|
| + */
|
| + int steep( vfs,ffs,nfs, nstep,toler )
|
| +-int nfs,(*vfs[])(),(*ffs[])();
|
| ++int nfs,(*vfs[])(float*, float),(*ffs[])(float);
|
| + int nstep;
|
| + float toler;
|
| + {
|
| +@@ -97,7 +97,7 @@
|
| + * when to stop
|
| + */
|
| + int cngdel( vfs,ffs,nfs, nstep,nreset,toler,echo )
|
| +-int nfs,(*vfs[])(),(*ffs[])();
|
| ++int nfs,(*vfs[])(float*, float),(*ffs[])(float);
|
| + int nstep,nreset;
|
| + float toler;
|
| + {
|
| +@@ -164,7 +164,7 @@
|
| + * recursive line minimizer
|
| + */
|
| + float linmin(ffs,nfs ,damp )
|
| +-int (*ffs[])();
|
| ++int (*ffs[])(float*, float);
|
| + int nfs;
|
| + float damp;
|
| +
|
| +diff -Naurb src2/tset.c src/tset.c
|
| +--- src2/tset.c 2016-08-12 23:25:14.297791577 -0700
|
| ++++ src/tset.c 2016-08-12 23:35:38.003122023 -0700
|
| +@@ -107,11 +107,11 @@
|
| + return 0;
|
| + }/* end of tset */
|
| + #ifdef NEWCCALL
|
| +-int tmin( FILE *op, int echo ,int i1,int i2,int i3,int i4,int nstep, int (*vfs[])(),int nfs )
|
| ++int tmin( FILE *op, int echo ,int i1,int i2,int i3,int i4,int nstep, int (*vfs[])(float*, float),int nfs )
|
| + #else
|
| + int tmin(op,echo, i1,i2,i3,i4,nstep, vfs,nfs )
|
| + int i1,i2,i3,i4,nstep;
|
| +-int (*vfs[])();
|
| ++int (*vfs[])(float*, float);
|
| + FILE *op;
|
| + int echo,nfs;
|
| + #endif
|
| +@@ -352,14 +352,14 @@
|
| + return 1;
|
| + }/* end of set_torsion */
|
| + #ifdef NEWCCALL
|
| +-int tmap( FILE *op, int echo, int (*vfs[])(),int nfs,int i1,int i2,int i3,int i4,
|
| ++int tmap( FILE *op, int echo, int (*vfs[])(float*, float),int nfs,int i1,int i2,int i3,int i4,
|
| + int j1 , int j2 ,int j3, int j4 , int nistep, int njstep)
|
| + #else
|
| + int tmap(op,echo,vfs,nfs,i1,i2,i3,i4,j1,j2,j3,j4,nistep,njstep )
|
| + int i1,i2,i3,i4;
|
| + int j1,j2,j3,j4;
|
| + int nistep,njstep;
|
| +-int (*vfs[])(),nfs;
|
| ++int (*vfs[])(float*, float),nfs;
|
| + FILE *op;
|
| + int echo;
|
| + #endif
|
|
|