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PALMER7C.SIF
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***************************
* SET UP THE INITIAL DATA *
***************************
NAME PALMER7C
* Problem :
* *********
* A linear least squares problem
* arising from chemical kinetics.
* model: H-N=C=Se TZVP + MP2
* fitting Y to A0 + A2 X**2 + A4 X**4 + A6 X**6 + A8 X**8 +
* A10 X**10 + A12 X**12 + A14 X**14
* Source:
* M. Palmer, Edinburgh, private communication.
* SIF input: Nick Gould, 1992.
* classification SUR2-RN-8-0
* Number of data points
IE M 24
* Other data
IE 1 1
IE 12 12
* X (radians)
RE X12 0.000000
RE X13 0.139626
RE X14 0.261799
RE X15 0.436332
RE X16 0.565245
RE X17 0.512942
RE X18 0.610865
RE X19 0.785398
RE X20 0.959931
RE X21 1.134464
RE X22 1.308997
RE X23 1.483530
RE X24 1.658063
* Y( KJmol-1)
RE Y12 4.419446
RE Y13 3.564931
RE Y14 2.139067
RE Y15 0.404686
RE Y16 0.000000
RE Y17 0.035152
RE Y18 0.146813
RE Y19 2.718058
RE Y20 9.474417
RE Y21 26.132221
RE Y22 41.451561
RE Y23 72.283164
RE Y24 117.630959
VARIABLES
A0
A2
A4
A6
A8
A10
A12
A14
GROUPS
DO I 12 M
A* XSQR X(I) X(I)
A* XQUART XSQR XSQR
A* X**6 XSQR XQUART
A* X**8 XSQR X**6
A* X**10 XSQR X**8
A* X**12 XSQR X**10
A* X**14 XSQR X**12
XN O(I) A0 1.0
ZN O(I) A2 XSQR
ZN O(I) A4 XQUART
ZN O(I) A6 X**6
ZN O(I) A8 X**8
ZN O(I) A10 X**10
ZN O(I) A12 X**12
ZN O(I) A14 X**14
ND
CONSTANTS
DO I 12 M
Z PALMER7C O(I) Y(I)
ND
BOUNDS
FR PALMER7C A0
FR PALMER7C A2
FR PALMER7C A4
FR PALMER7C A6
FR PALMER7C A8
FR PALMER7C A10
FR PALMER7C A12
FR PALMER7C A14
START POINT
XV PALMER7C 'DEFAULT' 1.0
GROUP TYPE
GV L2 GVAR
GROUP USES
DO I 12 M
XT O(I) L2
ND
OBJECT BOUND
* Least square problems are bounded below by zero
LO PALMER7C 0.0
* Solution
*LO SOLTN 5.0310687D-02
ENDATA
*********************
* SET UP THE GROUPS *
* ROUTINE *
*********************
GROUPS PALMER7C
INDIVIDUALS
T L2
F GVAR * GVAR
G GVAR + GVAR
H 2.0
ENDATA