updated libquantum 1.0.0 source files

CHANGES

@@ -1,3 +1,7 @@
+libquantum 1.0.0:
+	- Fixed quantum_gate1 to work properly with sorted regs
+	- Fixed several bugs in quantum_rk4a
+
 libquantum 0.9.1:
 	- Added fourth-order Runge-Kutta time evolution
 	- Fixed error in quantum_measure() that caused some register values 

Makefile.in

@@ -49,7 +49,7 @@ LIBTOOL=@LIBTOOL@
 # Flags passed to C compiler
 
 CFLAGS=@CFLAGS@
-LDFLAGS=-rpath $(LIBDIR) -version-info 6:0:3
+LDFLAGS=-rpath $(LIBDIR) -version-info 6:1:3
 
 # Dependencies
 

configure

@@ -1,6 +1,6 @@
 #! /bin/sh
 # Guess values for system-dependent variables and create Makefiles.
-# Generated by GNU Autoconf 2.61 for libquantum 0.9.1.
+# Generated by GNU Autoconf 2.61 for libquantum 1.0.0.
 #
 # Report bugs to <libquantum@libquantum.de>.
 #
@@ -724,8 +724,8 @@ SHELL=${CONFIG_SHELL-/bin/sh}
 # Identity of this package.
 PACKAGE_NAME='libquantum'
 PACKAGE_TARNAME='libquantum'
-PACKAGE_VERSION='0.9.1'
-PACKAGE_STRING='libquantum 0.9.1'
+PACKAGE_VERSION='1.0.0'
+PACKAGE_STRING='libquantum 1.0.0'
 PACKAGE_BUGREPORT='libquantum@libquantum.de'
 
 ac_unique_file="classic.c"
@@ -1346,7 +1346,7 @@ if test "$ac_init_help" = "long"; then
   # Omit some internal or obsolete options to make the list less imposing.
   # This message is too long to be a string in the A/UX 3.1 sh.
   cat <<_ACEOF
-\`configure' configures libquantum 0.9.1 to adapt to many kinds of systems.
+\`configure' configures libquantum 1.0.0 to adapt to many kinds of systems.
 
 Usage: $0 [OPTION]... [VAR=VALUE]...
 
@@ -1411,7 +1411,7 @@ fi
 
 if test -n "$ac_init_help"; then
   case $ac_init_help in
-     short | recursive ) echo "Configuration of libquantum 0.9.1:";;
+     short | recursive ) echo "Configuration of libquantum 1.0.0:";;
    esac
   cat <<\_ACEOF
 
@@ -1510,7 +1510,7 @@ fi
 test -n "$ac_init_help" && exit $ac_status
 if $ac_init_version; then
   cat <<\_ACEOF
-libquantum configure 0.9.1
+libquantum configure 1.0.0
 generated by GNU Autoconf 2.61
 
 Copyright (C) 1992, 1993, 1994, 1995, 1996, 1998, 1999, 2000, 2001,
@@ -1524,7 +1524,7 @@ cat >config.log <<_ACEOF
 This file contains any messages produced by compilers while
 running configure, to aid debugging if configure makes a mistake.
 
-It was created by libquantum $as_me 0.9.1, which was
+It was created by libquantum $as_me 1.0.0, which was
 generated by GNU Autoconf 2.61.  Invocation command line was
 
   $ $0 $@
@@ -10109,7 +10109,7 @@ exec 6>&1
 # report actual input values of CONFIG_FILES etc. instead of their
 # values after options handling.
 ac_log="
-This file was extended by libquantum $as_me 0.9.1, which was
+This file was extended by libquantum $as_me 1.0.0, which was
 generated by GNU Autoconf 2.61.  Invocation command line was
 
   CONFIG_FILES    = $CONFIG_FILES
@@ -10158,7 +10158,7 @@ Report bugs to <bug-autoconf@gnu.org>."
 _ACEOF
 cat >>$CONFIG_STATUS <<_ACEOF
 ac_cs_version="\\
-libquantum config.status 0.9.1
+libquantum config.status 1.0.0
 configured by $0, generated by GNU Autoconf 2.61,
   with options \\"`echo "$ac_configure_args" | sed 's/^ //; s/[\\""\`\$]/\\\\&/g'`\\"
 

configure.in

@@ -20,7 +20,7 @@
 # Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston,
 # MA 02110-1301, USA
 
-AC_INIT([libquantum], [0.9.1], [libquantum@libquantum.de])
+AC_INIT([libquantum], [1.0.0], [libquantum@libquantum.de])
 AC_CONFIG_SRCDIR([classic.c])
 AC_CONFIG_HEADER([config.h])
 

gates.c

@@ -289,7 +289,7 @@ void
 quantum_gate1(int target, quantum_matrix m, quantum_reg *reg)
 {
   int i, j, k, iset;
-  int addsize=0, decsize=0, sorted=1;
+  int addsize=0, decsize=0;
   COMPLEX_FLOAT t, tnot=0;
   float limit;
   char *done;
@@ -297,38 +297,36 @@ quantum_gate1(int target, quantum_matrix m, quantum_reg *reg)
   if((m.cols != 2) || (m.rows != 2))
     quantum_error(QUANTUM_EMSIZE);
 
-  quantum_reconstruct_hash(reg);
-
-  /* calculate the number of basis states to be added */
-
-  for(i=0; i<reg->size; i++)
+  if(reg->hashw)
     {
-      /* determine whether quantum register is sorted */
+      quantum_reconstruct_hash(reg);
 
-      if(sorted && (reg->node[i].state != i))
-	sorted = 0;
+      /* calculate the number of basis states to be added */
 
-      /* determine whether XORed basis state already exists */
+      for(i=0; i<reg->size; i++)
+	{
+	  /* determine whether XORed basis state already exists */
 
-      if(quantum_get_state(reg->node[i].state ^ ((MAX_UNSIGNED) 1 << target),
-			   *reg) == -1)
-	addsize++;
-    }
-
-  /* allocate memory for the new basis states */
+	  if(quantum_get_state(reg->node[i].state 
+			       ^ ((MAX_UNSIGNED) 1 << target), *reg) == -1)
+	    addsize++;
+	}
+      
+      /* allocate memory for the new basis states */
   
-  reg->node = realloc(reg->node, 
-		      (reg->size + addsize) * sizeof(quantum_reg_node));
+      reg->node = realloc(reg->node, 
+			  (reg->size + addsize) * sizeof(quantum_reg_node));
+      
+      if(!reg->node) 
+	quantum_error(QUANTUM_ENOMEM);
 
-  if(!reg->node) 
-    quantum_error(QUANTUM_ENOMEM);
+      quantum_memman(addsize*sizeof(quantum_reg_node));
 
-  quantum_memman(addsize*sizeof(quantum_reg_node));
-
-  for(i=0; i<addsize; i++)
-    {
-      reg->node[i+reg->size].state = 0;
-      reg->node[i+reg->size].amplitude = 0;
+      for(i=0; i<addsize; i++)
+	{
+	  reg->node[i+reg->size].state = 0;
+	  reg->node[i+reg->size].amplitude = 0;
+	}
     }
 
   done = calloc(reg->size + addsize, sizeof(char));
@@ -409,7 +407,7 @@ quantum_gate1(int target, quantum_matrix m, quantum_reg *reg)
 
   /* remove basis states with extremely small amplitude */
 
-  if(!sorted)
+  if(reg->hashw)
     {
       for(i=0, j=0; i<reg->size; i++)
 	{

qtime.c

@@ -98,13 +98,14 @@ quantum_rk4(quantum_reg *reg, double t, double dt,
 }
 
 /* Adaptive Runge-Kutta. Stores the new stepsize in dt and returns the
-   stepsize actually used. */
+   stepsize actually used. For further details, see Press et al.,
+   Numerical Recipes in C (Second Edition, CUP, 1992), Sec. 16.3 */
 
 double
 quantum_rk4a(quantum_reg *reg, double t, double *dt, double epsilon, 
 	     quantum_reg H(MAX_UNSIGNED, double))
 {
-  quantum_reg reg2, old, tmp;
+  quantum_reg reg2, old;
   double delta, r, dtused;
   int i;
   void *hash;
@@ -129,34 +130,42 @@ quantum_rk4a(quantum_reg *reg, double t, double *dt, double epsilon,
 
       for(i=0;i<reg->size;i++)
 	{
-	  if(quantum_real(reg->node[i].amplitude - reg2.node[i].amplitude)
-	     > quantum_imag(reg->node[i].amplitude - reg2.node[i].amplitude))
-	    r = 2*quantum_real(reg->node[i].amplitude - reg2.node[i].amplitude)
-	      / quantum_real(reg->node[i].amplitude + reg2.node[i].amplitude);
-	  else
-	    r = 2*quantum_imag(reg->node[i].amplitude - reg2.node[i].amplitude)
-	      / quantum_imag(reg->node[i].amplitude + reg2.node[i].amplitude);
+	  r = 2*sqrt(quantum_prob(reg->node[i].amplitude 
+				  - reg2.node[i].amplitude)/
+		     quantum_prob(reg->node[i].amplitude 
+				  + reg2.node[i].amplitude));
 	  
 	  if(r > delta)
 	    delta = r;
+		  
 	}
       
       dtused = *dt;
-      *dt *= pow(epsilon/delta, 0.2);
+
+      if(delta < epsilon)
+	*dt *= 0.9*pow(epsilon/delta, 0.2);
+      else
+	*dt *= 0.9*pow(epsilon/delta, 0.25);
+
+      if(*dt > 4*dtused)
+	*dt = 4*dtused;
+      
+      else if(*dt < 0.25*dtused)
+	*dt = 0.25*dtused;
 
       if(delta > epsilon)
 	{
-	  tmp = *reg;
-	  *reg = old;
-	  old = tmp;
-	  memcpy(reg2.node, reg->node, reg->size*sizeof(quantum_reg_node));
-	  memcpy(old.node, reg->node, reg->size*sizeof(quantum_reg_node));
+	  memcpy(reg->node, old.node, reg->size*sizeof(quantum_reg_node));
+	  memcpy(reg2.node, old.node, reg->size*sizeof(quantum_reg_node));
 	}
       
     } while(delta > epsilon);
 
   reg->hash = hash;
   reg->hashw = hashw;
+
+  quantum_delete_qureg(&old);
+  quantum_delete_qureg(&reg2);
   
   return dtused;
 }

qureg.c

@@ -333,7 +333,7 @@ quantum_kronecker(quantum_reg *reg1, quantum_reg *reg2)
   
   reg.width = reg1->width+reg2->width;
   reg.size = reg1->size*reg2->size;
-  reg.hashw = reg1->size*reg2->size + 2;
+  reg.hashw = reg.width+2;
 
 
   /* allocate memory for the new basis states */

qureg.h

@@ -158,6 +158,11 @@ static inline void
 quantum_reconstruct_hash(quantum_reg *reg)
 {
   int i;
+
+  /* Check whether register is sorted */
+
+  if(!reg->hashw)
+    return;
   
   for(i=0; i<(1 << reg->hashw); i++)
     reg->hash[i] = 0;