Changeset 1770 for branches/newmole/source

Timestamp:

02/02/08 12:04:57 (10 months ago)

Author:

rjrw

Message:

Correct bugs from last commit (one routine name wasn't changed, fix
valarray arguments to use references).

Location:

branches/newmole/source

Files:

• mole_priv.h (modified) (1 diff)
• mole_solve.cpp (modified) (2 diffs)
• newton_step.cpp (modified) (1 diff)
• newton_step.h (modified) (1 diff)

branches/newmole/source/mole_priv.h

@@ -68 +68 @@
 extern void mole_update_rks( void );
 
-/** Take one Newton step
-\param *nBad
-\param *error
-*/
-void newton_step(valarray<double> b2vec, int *nBad, realnum *error, long n);
-
 #endif /* _MOLE_PRIV_H_ */
 

branches/newmole/source/mole_solve.cpp

@@ -282 +282 @@
 GroupMap MoleMap;
 
-void funjac(valarray<double> b2vec, double *ervals, double *amat, bool lgJac)
+void funjac(valarray<double> &b2vec, double *ervals, double *amat, bool lgJac)
 {
         long
@@ -495 +495 @@
                         if (sum > SMALLFLOAT)
                         {
+                                double factor = 1./sum;
                                 for (ion=0; ion<N_MOLE_ION; ion++)
                                 {
                                         if (element_list[nelem]->ipMl[ion] != -1)
-                                                fion[nelem][ion] = calcv[element_list[nelem]->ipMl[ion]]/sum;
+                                                fion[nelem][ion] = calcv[element_list[nelem]->ipMl[ion]]*factor;
                                         else
                                                 fion[nelem][ion] = 0.;

branches/newmole/source/newton_step.cpp

@@ -21 +21 @@
 enum {PRINTSOL = false};
 
-extern void funjac(valarray<double> b2vec, double *ervals, double *amat, bool lgJac);
+extern void funjac(valarray<double> &b2vec, double *ervals, double *amat, bool lgJac);
 
 /* mole_newton_step -- improve balance in chemical network along
  * descent direction, step limited to ensure improvement */
-void mole_newton_step(valarray<double> b2vec, int *nBad, realnum *error, long n)
+void newton_step(valarray<double> &b2vec, int *nBad, realnum *error, long n)
 {
         long int i, 

branches/newmole/source/newton_step.h

@@ -10 +10 @@
 \param *error
 */
-void newton_step(valarray<double> b2vec, int *nBad, realnum *error, long n);
+void newton_step(valarray<double> &b2vec, int *nBad, realnum *error, long n);
 
 #endif /* _NEWTON_STEP_H_ */