1c4762a1bSJed Brown 2c4762a1bSJed Brown program main 3c4762a1bSJed Brown#include <petsc/finclude/petsc.h> 4c4762a1bSJed Brown use petsc 5c4762a1bSJed Brown implicit none 6c4762a1bSJed Brown 7c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 8c4762a1bSJed Brown! Variable declarations 9c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 10c4762a1bSJed Brown! 11c4762a1bSJed Brown! Variables: 12c4762a1bSJed Brown! snes - nonlinear solver 13c4762a1bSJed Brown! ksp - linear solver 14c4762a1bSJed Brown! pc - preconditioner context 15c4762a1bSJed Brown! ksp - Krylov subspace method context 16c4762a1bSJed Brown! x, r - solution, residual vectors 17c4762a1bSJed Brown! J - Jacobian matrix 18c4762a1bSJed Brown! its - iterations for convergence 19c4762a1bSJed Brown! 20c4762a1bSJed Brown SNES snes 21c4762a1bSJed Brown PC pc 22c4762a1bSJed Brown KSP ksp 23c4762a1bSJed Brown Vec x,r,lb,ub 24c4762a1bSJed Brown Mat J 25c4762a1bSJed Brown SNESLineSearch linesearch 26c4762a1bSJed Brown PetscErrorCode ierr 27c4762a1bSJed Brown PetscInt its,i2,i20 28c4762a1bSJed Brown PetscMPIInt size 29c4762a1bSJed Brown PetscScalar pfive 30c4762a1bSJed Brown PetscReal tol 31c4762a1bSJed Brown PetscBool setls 32c4762a1bSJed Brown PetscScalar,pointer :: xx(:) 33c4762a1bSJed Brown PetscScalar zero,big 34c4762a1bSJed Brown SNESLineSearch ls 35c4762a1bSJed Brown 36c4762a1bSJed Brown! Note: Any user-defined Fortran routines (such as FormJacobian) 37c4762a1bSJed Brown! MUST be declared as external. 38c4762a1bSJed Brown 39c4762a1bSJed Brown external FormFunction, FormJacobian 40c4762a1bSJed Brown external ShashiPostCheck 41c4762a1bSJed Brown 42c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 43c4762a1bSJed Brown! Macro definitions 44c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 45c4762a1bSJed Brown! 46c4762a1bSJed Brown! Macros to make clearer the process of setting values in vectors and 47c4762a1bSJed Brown! getting values from vectors. These vectors are used in the routines 48c4762a1bSJed Brown! FormFunction() and FormJacobian(). 49c4762a1bSJed Brown! - The element lx_a(ib) is element ib in the vector x 50c4762a1bSJed Brown! 51c4762a1bSJed Brown#define lx_a(ib) lx_v(lx_i + (ib)) 52c4762a1bSJed Brown#define lf_a(ib) lf_v(lf_i + (ib)) 53c4762a1bSJed Brown! 54c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 55c4762a1bSJed Brown! Beginning of program 56c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 57c4762a1bSJed Brown 58d8606c27SBarry Smith PetscCallA(PetscInitialize(ierr)) 59d8606c27SBarry Smith PetscCallMPIA(MPI_Comm_size(PETSC_COMM_WORLD,size,ierr)) 60c4762a1bSJed Brown if (size .ne. 1) then; SETERRA(PETSC_COMM_WORLD,1,'requires one process'); endif 61c4762a1bSJed Brown 62c4762a1bSJed Brown big = 2.88 63c4762a1bSJed Brown big = PETSC_INFINITY 64c4762a1bSJed Brown zero = 0.0 65c4762a1bSJed Brown i2 = 26 66c4762a1bSJed Brown! - - - - - - - - - -- - - - - - - - - - - - - - - - - - - - - - - - - - 67c4762a1bSJed Brown! Create nonlinear solver context 68c4762a1bSJed Brown! - - - - - - - - - -- - - - - - - - - - - - - - - - - - - - - - - - - - 69c4762a1bSJed Brown 70d8606c27SBarry Smith PetscCallA(SNESCreate(PETSC_COMM_WORLD,snes,ierr)) 71c4762a1bSJed Brown 72c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 73c4762a1bSJed Brown! Create matrix and vector data structures; set corresponding routines 74c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 75c4762a1bSJed Brown 76c4762a1bSJed Brown! Create vectors for solution and nonlinear function 77c4762a1bSJed Brown 78d8606c27SBarry Smith PetscCallA(VecCreateSeq(PETSC_COMM_SELF,i2,x,ierr)) 79d8606c27SBarry Smith PetscCallA(VecDuplicate(x,r,ierr)) 80c4762a1bSJed Brown 81c4762a1bSJed Brown! Create Jacobian matrix data structure 82c4762a1bSJed Brown 83d8606c27SBarry Smith PetscCallA(MatCreateDense(PETSC_COMM_SELF,26,26,26,26,PETSC_NULL_SCALAR,J,ierr)) 84c4762a1bSJed Brown 85c4762a1bSJed Brown! Set function evaluation routine and vector 86c4762a1bSJed Brown 87d8606c27SBarry Smith PetscCallA(SNESSetFunction(snes,r,FormFunction,0,ierr)) 88c4762a1bSJed Brown 89c4762a1bSJed Brown! Set Jacobian matrix data structure and Jacobian evaluation routine 90c4762a1bSJed Brown 91d8606c27SBarry Smith PetscCallA(SNESSetJacobian(snes,J,J,FormJacobian,0,ierr)) 92c4762a1bSJed Brown 93d8606c27SBarry Smith PetscCallA(VecDuplicate(x,lb,ierr)) 94d8606c27SBarry Smith PetscCallA(VecDuplicate(x,ub,ierr)) 95d8606c27SBarry Smith PetscCallA(VecSet(lb,zero,ierr)) 96d8606c27SBarry Smith! PetscCallA(VecGetArrayF90(lb,xx,ierr)) 97*f3009475SJose E. Roman! PetscCallA(ShashiLowerBound(xx)) 98d8606c27SBarry Smith! PetscCallA(VecRestoreArrayF90(lb,xx,ierr)) 99d8606c27SBarry Smith PetscCallA(VecSet(ub,big,ierr)) 100d8606c27SBarry Smith! PetscCallA(SNESVISetVariableBounds(snes,lb,ub,ierr)) 101c4762a1bSJed Brown 102d8606c27SBarry Smith PetscCallA(SNESGetLineSearch(snes,ls,ierr)) 103d8606c27SBarry Smith PetscCallA(SNESLineSearchSetPostCheck(ls,ShashiPostCheck,0,ierr)) 104d8606c27SBarry Smith PetscCallA(SNESSetType(snes,SNESVINEWTONRSLS,ierr)) 105c4762a1bSJed Brown 106d8606c27SBarry Smith PetscCallA(SNESSetFromOptions(snes,ierr)) 107c4762a1bSJed Brown 108c4762a1bSJed Brown! set initial guess 109c4762a1bSJed Brown 110d8606c27SBarry Smith PetscCallA(VecGetArrayF90(x,xx,ierr)) 111*f3009475SJose E. Roman PetscCallA(ShashiInitialGuess(xx)) 112d8606c27SBarry Smith PetscCallA(VecRestoreArrayF90(x,xx,ierr)) 113c4762a1bSJed Brown 114d8606c27SBarry Smith PetscCallA(SNESSolve(snes,PETSC_NULL_VEC,x,ierr)) 115c4762a1bSJed Brown 116c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 117c4762a1bSJed Brown! Free work space. All PETSc objects should be destroyed when they 118c4762a1bSJed Brown! are no longer needed. 119c4762a1bSJed Brown! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 120d8606c27SBarry Smith PetscCallA(VecDestroy(lb,ierr)) 121d8606c27SBarry Smith PetscCallA(VecDestroy(ub,ierr)) 122d8606c27SBarry Smith PetscCallA(VecDestroy(x,ierr)) 123d8606c27SBarry Smith PetscCallA(VecDestroy(r,ierr)) 124d8606c27SBarry Smith PetscCallA(MatDestroy(J,ierr)) 125d8606c27SBarry Smith PetscCallA(SNESDestroy(snes,ierr)) 126d8606c27SBarry Smith PetscCallA(PetscFinalize(ierr)) 127c4762a1bSJed Brown end 128c4762a1bSJed Brown! 129c4762a1bSJed Brown! ------------------------------------------------------------------------ 130c4762a1bSJed Brown! 131c4762a1bSJed Brown! FormFunction - Evaluates nonlinear function, F(x). 132c4762a1bSJed Brown! 133c4762a1bSJed Brown! Input Parameters: 134c4762a1bSJed Brown! snes - the SNES context 135c4762a1bSJed Brown! x - input vector 136c4762a1bSJed Brown! dummy - optional user-defined context (not used here) 137c4762a1bSJed Brown! 138c4762a1bSJed Brown! Output Parameter: 139c4762a1bSJed Brown! f - function vector 140c4762a1bSJed Brown! 141c4762a1bSJed Brown subroutine FormFunction(snes,x,f,dummy,ierr) 142c4762a1bSJed Brown#include <petsc/finclude/petscsnes.h> 143c4762a1bSJed Brown use petscsnes 144c4762a1bSJed Brown implicit none 145c4762a1bSJed Brown SNES snes 146c4762a1bSJed Brown Vec x,f 147c4762a1bSJed Brown PetscErrorCode ierr 148c4762a1bSJed Brown integer dummy(*) 149c4762a1bSJed Brown 150c4762a1bSJed Brown! Declarations for use with local arrays 151c4762a1bSJed Brown 152c4762a1bSJed Brown PetscScalar lx_v(2),lf_v(2) 153c4762a1bSJed Brown PetscOffset lx_i,lf_i 154c4762a1bSJed Brown 155c4762a1bSJed Brown! Get pointers to vector data. 156c4762a1bSJed Brown! - For default PETSc vectors, VecGetArray() returns a pointer to 157c4762a1bSJed Brown! the data array. Otherwise, the routine is implementation dependent. 158c4762a1bSJed Brown! - You MUST call VecRestoreArray() when you no longer need access to 159c4762a1bSJed Brown! the array. 160c4762a1bSJed Brown! - Note that the Fortran interface to VecGetArray() differs from the 161c4762a1bSJed Brown! C version. See the Fortran chapter of the users manual for details. 162c4762a1bSJed Brown 163d8606c27SBarry Smith PetscCall(VecGetArrayRead(x,lx_v,lx_i,ierr)) 164d8606c27SBarry Smith PetscCall(VecGetArray(f,lf_v,lf_i,ierr)) 165*f3009475SJose E. Roman PetscCall(ShashiFormFunction(lx_a(1),lf_a(1))) 166d8606c27SBarry Smith PetscCall(VecRestoreArrayRead(x,lx_v,lx_i,ierr)) 167d8606c27SBarry Smith PetscCall(VecRestoreArray(f,lf_v,lf_i,ierr)) 168c4762a1bSJed Brown 169c4762a1bSJed Brown return 170c4762a1bSJed Brown end 171c4762a1bSJed Brown 172c4762a1bSJed Brown! --------------------------------------------------------------------- 173c4762a1bSJed Brown! 174c4762a1bSJed Brown! FormJacobian - Evaluates Jacobian matrix. 175c4762a1bSJed Brown! 176c4762a1bSJed Brown! Input Parameters: 177c4762a1bSJed Brown! snes - the SNES context 178c4762a1bSJed Brown! x - input vector 179c4762a1bSJed Brown! dummy - optional user-defined context (not used here) 180c4762a1bSJed Brown! 181c4762a1bSJed Brown! Output Parameters: 182c4762a1bSJed Brown! A - Jacobian matrix 183c4762a1bSJed Brown! B - optionally different preconditioning matrix 184c4762a1bSJed Brown! flag - flag indicating matrix structure 185c4762a1bSJed Brown! 186c4762a1bSJed Brown subroutine FormJacobian(snes,X,jac,B,dummy,ierr) 187c4762a1bSJed Brown#include <petsc/finclude/petscsnes.h> 188c4762a1bSJed Brown use petscsnes 189c4762a1bSJed Brown implicit none 190c4762a1bSJed Brown SNES snes 191c4762a1bSJed Brown Vec X 192c4762a1bSJed Brown Mat jac,B 193c4762a1bSJed Brown PetscScalar A(4) 194c4762a1bSJed Brown PetscErrorCode ierr 195c4762a1bSJed Brown PetscInt idx(2),i2 196c4762a1bSJed Brown integer dummy(*) 197c4762a1bSJed Brown 198c4762a1bSJed Brown! Declarations for use with local arrays 199c4762a1bSJed Brown 200c4762a1bSJed Brown PetscScalar lx_v(1),lf_v(1) 201c4762a1bSJed Brown PetscOffset lx_i,lf_i 202c4762a1bSJed Brown 203c4762a1bSJed Brown! Get pointer to vector data 204c4762a1bSJed Brown 205d8606c27SBarry Smith PetscCall(VecGetArrayRead(x,lx_v,lx_i,ierr)) 206d8606c27SBarry Smith PetscCall(MatDenseGetArray(B,lf_v,lf_i,ierr)) 207*f3009475SJose E. Roman PetscCall(ShashiFormJacobian(lx_a(1),lf_a(1))) 208d8606c27SBarry Smith PetscCall(MatDenseRestoreArray(B,lf_v,lf_i,ierr)) 209d8606c27SBarry Smith PetscCall(VecRestoreArrayRead(x,lx_v,lx_i,ierr)) 210c4762a1bSJed Brown 211c4762a1bSJed Brown! Assemble matrix 212c4762a1bSJed Brown 213d8606c27SBarry Smith PetscCall(MatAssemblyBegin(jac,MAT_FINAL_ASSEMBLY,ierr)) 214d8606c27SBarry Smith PetscCall(MatAssemblyEnd(jac,MAT_FINAL_ASSEMBLY,ierr)) 215c4762a1bSJed Brown 216c4762a1bSJed Brown return 217c4762a1bSJed Brown end 218c4762a1bSJed Brown 219c4762a1bSJed Brown subroutine ShashiLowerBound(an_r) 220c4762a1bSJed Brown! implicit PetscScalar (a-h,o-z) 221c4762a1bSJed Brown implicit none 222c4762a1bSJed Brown PetscScalar an_r(26) 223c4762a1bSJed Brown PetscInt i 224c4762a1bSJed Brown 225c4762a1bSJed Brown do i=2,26 226c4762a1bSJed Brown an_r(i) = 1000.0/6.023D+23 227c4762a1bSJed Brown enddo 228c4762a1bSJed Brown return 229c4762a1bSJed Brown end 230c4762a1bSJed Brown 231c4762a1bSJed Brown subroutine ShashiInitialGuess(an_r) 232c4762a1bSJed Brown! implicit PetscScalar (a-h,o-z) 233c4762a1bSJed Brown implicit none 234c4762a1bSJed Brown PetscScalar an_c_additive 235c4762a1bSJed Brown PetscScalar an_h_additive 236c4762a1bSJed Brown PetscScalar an_o_additive 237c4762a1bSJed Brown PetscScalar atom_c_init 238c4762a1bSJed Brown PetscScalar atom_h_init 239c4762a1bSJed Brown PetscScalar atom_n_init 240c4762a1bSJed Brown PetscScalar atom_o_init 241c4762a1bSJed Brown PetscScalar h_init 242c4762a1bSJed Brown PetscScalar p_init 243c4762a1bSJed Brown PetscInt nfuel 244c4762a1bSJed Brown PetscScalar temp,pt 245c4762a1bSJed Brown PetscScalar an_r(26),k_eq(23),f_eq(26) 246c4762a1bSJed Brown PetscScalar d_eq(26,26),H_molar(26) 247c4762a1bSJed Brown PetscInt an_h(1),an_c(1) 248c4762a1bSJed Brown PetscScalar part_p(26) 249c4762a1bSJed Brown PetscInt i_cc,i_hh,i_h2o 250c4762a1bSJed Brown PetscInt i_pwr2,i_co2_h2o 251c4762a1bSJed Brown 252c4762a1bSJed Brown pt = 0.1 253c4762a1bSJed Brown atom_c_init =6.7408177364816552D-022 254c4762a1bSJed Brown atom_h_init = 2.0 255c4762a1bSJed Brown atom_o_init = 1.0 256c4762a1bSJed Brown atom_n_init = 3.76 257c4762a1bSJed Brown nfuel = 1 258c4762a1bSJed Brown an_c(1) = 1 259c4762a1bSJed Brown an_h(1) = 4 260c4762a1bSJed Brown an_c_additive = 2 261c4762a1bSJed Brown an_h_additive = 6 262c4762a1bSJed Brown an_o_additive = 1 263c4762a1bSJed Brown h_init = 128799.7267952987 264c4762a1bSJed Brown p_init = 0.1 265c4762a1bSJed Brown temp = 1500 266c4762a1bSJed Brown 267c4762a1bSJed Brown an_r( 1) = 1.66000D-24 268c4762a1bSJed Brown an_r( 2) = 1.66030D-22 269c4762a1bSJed Brown an_r( 3) = 5.00000D-01 270c4762a1bSJed Brown an_r( 4) = 1.66030D-22 271c4762a1bSJed Brown an_r( 5) = 1.66030D-22 272c4762a1bSJed Brown an_r( 6) = 1.88000D+00 273c4762a1bSJed Brown an_r( 7) = 1.66030D-22 274c4762a1bSJed Brown an_r( 8) = 1.66030D-22 275c4762a1bSJed Brown an_r( 9) = 1.66030D-22 276c4762a1bSJed Brown an_r(10) = 1.66030D-22 277c4762a1bSJed Brown an_r(11) = 1.66030D-22 278c4762a1bSJed Brown an_r(12) = 1.66030D-22 279c4762a1bSJed Brown an_r(13) = 1.66030D-22 280c4762a1bSJed Brown an_r(14) = 1.00000D+00 281c4762a1bSJed Brown an_r(15) = 1.66030D-22 282c4762a1bSJed Brown an_r(16) = 1.66030D-22 283c4762a1bSJed Brown an_r(17) = 1.66000D-24 284c4762a1bSJed Brown an_r(18) = 1.66030D-24 285c4762a1bSJed Brown an_r(19) = 1.66030D-24 286c4762a1bSJed Brown an_r(20) = 1.66030D-24 287c4762a1bSJed Brown an_r(21) = 1.66030D-24 288c4762a1bSJed Brown an_r(22) = 1.66030D-24 289c4762a1bSJed Brown an_r(23) = 1.66030D-24 290c4762a1bSJed Brown an_r(24) = 1.66030D-24 291c4762a1bSJed Brown an_r(25) = 1.66030D-24 292c4762a1bSJed Brown an_r(26) = 1.66030D-24 293c4762a1bSJed Brown 294c4762a1bSJed Brown an_r = 0 295c4762a1bSJed Brown an_r( 3) = .5 296c4762a1bSJed Brown an_r( 6) = 1.88000 297c4762a1bSJed Brown an_r(14) = 1. 298c4762a1bSJed Brown 299c4762a1bSJed Brown#if defined(solution) 300c4762a1bSJed Brown an_r( 1) = 3.802208D-33 301c4762a1bSJed Brown an_r( 2) = 1.298287D-29 302c4762a1bSJed Brown an_r( 3) = 2.533067D-04 303c4762a1bSJed Brown an_r( 4) = 6.865078D-22 304c4762a1bSJed Brown an_r( 5) = 9.993125D-01 305c4762a1bSJed Brown an_r( 6) = 1.879964D+00 306c4762a1bSJed Brown an_r( 7) = 4.449489D-13 307c4762a1bSJed Brown an_r( 8) = 3.428687D-07 308c4762a1bSJed Brown an_r( 9) = 7.105138D-05 309c4762a1bSJed Brown an_r(10) = 1.094368D-04 310c4762a1bSJed Brown an_r(11) = 2.362305D-06 311c4762a1bSJed Brown an_r(12) = 1.107145D-09 312c4762a1bSJed Brown an_r(13) = 1.276162D-24 313c4762a1bSJed Brown an_r(14) = 6.315538D-04 314c4762a1bSJed Brown an_r(15) = 2.356540D-09 315c4762a1bSJed Brown an_r(16) = 2.048248D-09 316c4762a1bSJed Brown an_r(17) = 1.966187D-22 317c4762a1bSJed Brown an_r(18) = 7.856497D-29 318c4762a1bSJed Brown an_r(19) = 1.987840D-36 319c4762a1bSJed Brown an_r(20) = 8.182441D-22 320c4762a1bSJed Brown an_r(21) = 2.684880D-16 321c4762a1bSJed Brown an_r(22) = 2.680473D-16 322c4762a1bSJed Brown an_r(23) = 6.594967D-18 323c4762a1bSJed Brown an_r(24) = 2.509714D-21 324c4762a1bSJed Brown an_r(25) = 3.096459D-21 325c4762a1bSJed Brown an_r(26) = 6.149551D-18 326c4762a1bSJed Brown#endif 327c4762a1bSJed Brown 328c4762a1bSJed Brown return 329c4762a1bSJed Brown end 330c4762a1bSJed Brown 331c4762a1bSJed Brown subroutine ShashiFormFunction(an_r,f_eq) 332c4762a1bSJed Brown! implicit PetscScalar (a-h,o-z) 333c4762a1bSJed Brown implicit none 334c4762a1bSJed Brown PetscScalar an_c_additive 335c4762a1bSJed Brown PetscScalar an_h_additive 336c4762a1bSJed Brown PetscScalar an_o_additive 337c4762a1bSJed Brown PetscScalar atom_c_init 338c4762a1bSJed Brown PetscScalar atom_h_init 339c4762a1bSJed Brown PetscScalar atom_n_init 340c4762a1bSJed Brown PetscScalar atom_o_init 341c4762a1bSJed Brown PetscScalar h_init 342c4762a1bSJed Brown PetscScalar p_init 343c4762a1bSJed Brown PetscInt nfuel 344c4762a1bSJed Brown PetscScalar temp,pt 345c4762a1bSJed Brown PetscScalar an_r(26),k_eq(23),f_eq(26) 346c4762a1bSJed Brown PetscScalar d_eq(26,26),H_molar(26) 347c4762a1bSJed Brown PetscInt an_h(1),an_c(1) 348c4762a1bSJed Brown PetscScalar part_p(26),idiff 349c4762a1bSJed Brown PetscInt i_cc,i_hh,i_h2o 350c4762a1bSJed Brown PetscInt i_pwr2,i_co2_h2o 351c4762a1bSJed Brown PetscScalar an_t,sum_h,pt_cubed,pt_five 352c4762a1bSJed Brown PetscScalar pt_four,pt_val1,pt_val2 353c4762a1bSJed Brown PetscScalar a_io2 354c4762a1bSJed Brown PetscInt i,ip 355c4762a1bSJed Brown pt = 0.1 356c4762a1bSJed Brown atom_c_init =6.7408177364816552D-022 357c4762a1bSJed Brown atom_h_init = 2.0 358c4762a1bSJed Brown atom_o_init = 1.0 359c4762a1bSJed Brown atom_n_init = 3.76 360c4762a1bSJed Brown nfuel = 1 361c4762a1bSJed Brown an_c(1) = 1 362c4762a1bSJed Brown an_h(1) = 4 363c4762a1bSJed Brown an_c_additive = 2 364c4762a1bSJed Brown an_h_additive = 6 365c4762a1bSJed Brown an_o_additive = 1 366c4762a1bSJed Brown h_init = 128799.7267952987 367c4762a1bSJed Brown p_init = 0.1 368c4762a1bSJed Brown temp = 1500 369c4762a1bSJed Brown 370c4762a1bSJed Brown k_eq( 1) = 1.75149D-05 371c4762a1bSJed Brown k_eq( 2) = 4.01405D-06 372c4762a1bSJed Brown k_eq( 3) = 6.04663D-14 373c4762a1bSJed Brown k_eq( 4) = 2.73612D-01 374c4762a1bSJed Brown k_eq( 5) = 3.25592D-03 375c4762a1bSJed Brown k_eq( 6) = 5.33568D+05 376c4762a1bSJed Brown k_eq( 7) = 2.07479D+05 377c4762a1bSJed Brown k_eq( 8) = 1.11841D-02 378c4762a1bSJed Brown k_eq( 9) = 1.72684D-03 379c4762a1bSJed Brown k_eq(10) = 1.98588D-07 380c4762a1bSJed Brown k_eq(11) = 7.23600D+27 381c4762a1bSJed Brown k_eq(12) = 5.73926D+49 382c4762a1bSJed Brown k_eq(13) = 1.00000D+00 383c4762a1bSJed Brown k_eq(14) = 1.64493D+16 384c4762a1bSJed Brown k_eq(15) = 2.73837D-29 385c4762a1bSJed Brown k_eq(16) = 3.27419D+50 386c4762a1bSJed Brown k_eq(17) = 1.72447D-23 387c4762a1bSJed Brown k_eq(18) = 4.24657D-06 388c4762a1bSJed Brown k_eq(19) = 1.16065D-14 389c4762a1bSJed Brown k_eq(20) = 3.28020D+25 390c4762a1bSJed Brown k_eq(21) = 1.06291D+00 391c4762a1bSJed Brown k_eq(22) = 9.11507D+02 392c4762a1bSJed Brown k_eq(23) = 6.02837D+03 393c4762a1bSJed Brown 394c4762a1bSJed Brown H_molar( 1) = 3.26044D+03 395c4762a1bSJed Brown H_molar( 2) = -8.00407D+04 396c4762a1bSJed Brown H_molar( 3) = 4.05873D+04 397c4762a1bSJed Brown H_molar( 4) = -3.31849D+05 398c4762a1bSJed Brown H_molar( 5) = -1.93654D+05 399c4762a1bSJed Brown H_molar( 6) = 3.84035D+04 400c4762a1bSJed Brown H_molar( 7) = 4.97589D+05 401c4762a1bSJed Brown H_molar( 8) = 2.74483D+05 402c4762a1bSJed Brown H_molar( 9) = 1.30022D+05 403c4762a1bSJed Brown H_molar(10) = 7.58429D+04 404c4762a1bSJed Brown H_molar(11) = 2.42948D+05 405c4762a1bSJed Brown H_molar(12) = 1.44588D+05 406c4762a1bSJed Brown H_molar(13) = -7.16891D+04 407c4762a1bSJed Brown H_molar(14) = 3.63075D+04 408c4762a1bSJed Brown H_molar(15) = 9.23880D+04 409c4762a1bSJed Brown H_molar(16) = 6.50477D+04 410c4762a1bSJed Brown H_molar(17) = 3.04310D+05 411c4762a1bSJed Brown H_molar(18) = 7.41707D+05 412c4762a1bSJed Brown H_molar(19) = 6.32767D+05 413c4762a1bSJed Brown H_molar(20) = 8.90624D+05 414c4762a1bSJed Brown H_molar(21) = 2.49805D+04 415c4762a1bSJed Brown H_molar(22) = 6.43473D+05 416c4762a1bSJed Brown H_molar(23) = 1.02861D+06 417c4762a1bSJed Brown H_molar(24) = -6.07503D+03 418c4762a1bSJed Brown H_molar(25) = 1.27020D+05 419c4762a1bSJed Brown H_molar(26) = -1.07011D+05 420c4762a1bSJed Brown!============= 421c4762a1bSJed Brown an_t = 0 422c4762a1bSJed Brown sum_h = 0 423c4762a1bSJed Brown 424c4762a1bSJed Brown do i = 1,26 425c4762a1bSJed Brown an_t = an_t + an_r(i) 426c4762a1bSJed Brown enddo 427c4762a1bSJed Brown 428c4762a1bSJed Brown f_eq(1) = atom_h_init & 429c4762a1bSJed Brown & - (an_h(1)*an_r(1) + an_h_additive*an_r(2) & 430c4762a1bSJed Brown & + 2*an_r(5) + an_r(10) + an_r(11) + 2*an_r(14) & 431c4762a1bSJed Brown & + an_r(16)+ 2*an_r(17) + an_r(19) & 432c4762a1bSJed Brown & +an_r(20) + 3*an_r(22)+an_r(26)) 433c4762a1bSJed Brown 434c4762a1bSJed Brown f_eq(2) = atom_o_init & 435c4762a1bSJed Brown & - (an_o_additive*an_r(2) + 2*an_r(3) & 436c4762a1bSJed Brown & + 2*an_r(4) + an_r(5) & 437c4762a1bSJed Brown & + an_r(8) + an_r(9) + an_r(10) + an_r(12) + an_r(13) & 438c4762a1bSJed Brown & + 2*an_r(15) + 2*an_r(16)+ an_r(20) + an_r(22) & 439c4762a1bSJed Brown & + an_r(23) + 2*an_r(24) + 1*an_r(25)+an_r(26)) 440c4762a1bSJed Brown 441c4762a1bSJed Brown f_eq(3) = an_r(2)-1.0d-150 442c4762a1bSJed Brown 443c4762a1bSJed Brown f_eq(4) = atom_c_init & 444c4762a1bSJed Brown & - (an_c(1)*an_r(1) + an_c_additive * an_r(2) & 445c4762a1bSJed Brown & + an_r(4) + an_r(13)+ 2*an_r(17) + an_r(18) & 446c4762a1bSJed Brown & + an_r(19) + an_r(20)) 447c4762a1bSJed Brown 448c4762a1bSJed Brown do ip = 1,26 449c4762a1bSJed Brown part_p(ip) = (an_r(ip)/an_t) * pt 450c4762a1bSJed Brown enddo 451c4762a1bSJed Brown 452c4762a1bSJed Brown i_cc = an_c(1) 453c4762a1bSJed Brown i_hh = an_h(1) 454c4762a1bSJed Brown a_io2 = i_cc + i_hh/4.0 455c4762a1bSJed Brown i_h2o = i_hh/2 456c4762a1bSJed Brown idiff = (i_cc + i_h2o) - (a_io2 + 1) 457c4762a1bSJed Brown 458c4762a1bSJed Brown f_eq(5) = k_eq(11)*an_r(1)*an_r(3)**a_io2 & 459c4762a1bSJed Brown & - (an_r(4)**i_cc)*(an_r(5)**i_h2o)*((pt/an_t)**idiff) 460c4762a1bSJed Brown! write(6,*)f_eq(5),an_r(1), an_r(3), an_r(4),an_r(5),' II' 461c4762a1bSJed Brown! stop 462c4762a1bSJed Brown f_eq(6) = atom_n_init & 463c4762a1bSJed Brown & - (2*an_r(6) + an_r(7) + an_r(9) + 2*an_r(12) & 464c4762a1bSJed Brown & + an_r(15) & 465c4762a1bSJed Brown & + an_r(23)) 466c4762a1bSJed Brown 467c4762a1bSJed Brown f_eq( 7) = part_p(11) & 468c4762a1bSJed Brown & - (k_eq( 1) * sqrt(part_p(14)+1d-23)) 469c4762a1bSJed Brown f_eq( 8) = part_p( 8) & 470c4762a1bSJed Brown & - (k_eq( 2) * sqrt(part_p( 3)+1d-23)) 471c4762a1bSJed Brown 472c4762a1bSJed Brown f_eq( 9) = part_p( 7) & 473c4762a1bSJed Brown & - (k_eq( 3) * sqrt(part_p( 6)+1d-23)) 474c4762a1bSJed Brown 475c4762a1bSJed Brown f_eq(10) = part_p(10) & 476c4762a1bSJed Brown & - (k_eq( 4) * sqrt(part_p( 3)+1d-23)) & 477c4762a1bSJed Brown & * sqrt(part_p(14)) 478c4762a1bSJed Brown 479c4762a1bSJed Brown f_eq(11) = part_p( 9) & 480c4762a1bSJed Brown & - (k_eq( 5) * sqrt(part_p( 3)+1d-23)) & 481c4762a1bSJed Brown & * sqrt(part_p( 6)+1d-23) 482c4762a1bSJed Brown f_eq(12) = part_p( 5) & 483c4762a1bSJed Brown & - (k_eq( 6) * sqrt(part_p( 3)+1d-23)) & 484c4762a1bSJed Brown & * (part_p(14)) 485c4762a1bSJed Brown 486c4762a1bSJed Brown f_eq(13) = part_p( 4) & 487c4762a1bSJed Brown & - (k_eq( 7) * sqrt(part_p(3)+1.0d-23)) & 488c4762a1bSJed Brown & * (part_p(13)) 489c4762a1bSJed Brown 490c4762a1bSJed Brown f_eq(14) = part_p(15) & 491c4762a1bSJed Brown & - (k_eq( 8) * sqrt(part_p(3)+1.0d-50)) & 492c4762a1bSJed Brown & * (part_p( 9)) 493c4762a1bSJed Brown f_eq(15) = part_p(16) & 494c4762a1bSJed Brown & - (k_eq( 9) * part_p( 3)) & 495c4762a1bSJed Brown & * sqrt(part_p(14)+1d-23) 496c4762a1bSJed Brown 497c4762a1bSJed Brown f_eq(16) = part_p(12) & 498c4762a1bSJed Brown & - (k_eq(10) * sqrt(part_p( 3)+1d-23)) & 499c4762a1bSJed Brown & * (part_p( 6)) 500c4762a1bSJed Brown 501c4762a1bSJed Brown f_eq(17) = part_p(14)*part_p(18)**2 & 502c4762a1bSJed Brown & - (k_eq(15) * part_p(17)) 503c4762a1bSJed Brown 504c4762a1bSJed Brown f_eq(18) = (part_p(13)**2) & 505c4762a1bSJed Brown & - (k_eq(16) * part_p(3)*part_p(18)**2) 506c4762a1bSJed Brown print*,f_eq(18),part_p(3),part_p(18),part_p(13),k_eq(16) 507c4762a1bSJed Brown 508c4762a1bSJed Brown f_eq(19) = part_p(19)*part_p(3) - k_eq(17)*part_p(13)*part_p(10) 509c4762a1bSJed Brown 510c4762a1bSJed Brown f_eq(20) = part_p(21)*part_p(20) - k_eq(18)*part_p(19)*part_p(8) 511c4762a1bSJed Brown 512c4762a1bSJed Brown f_eq(21) = part_p(21)*part_p(23) - k_eq(19)*part_p(7)*part_p(8) 513c4762a1bSJed Brown 514c4762a1bSJed Brown f_eq(22) = part_p(5)*part_p(11) - k_eq(20)*part_p(21)*part_p(22) 515c4762a1bSJed Brown 516c4762a1bSJed Brown f_eq(23) = part_p(24) - k_eq(21)*part_p(21)*part_p(3) 517c4762a1bSJed Brown 518c4762a1bSJed Brown f_eq(24) = part_p(3)*part_p(25) - k_eq(22)*part_p(24)*part_p(8) 519c4762a1bSJed Brown 520c4762a1bSJed Brown f_eq(25) = part_p(26) - k_eq(23)*part_p(21)*part_p(10) 521c4762a1bSJed Brown 522c4762a1bSJed Brown f_eq(26) = -(an_r(20) + an_r(22) + an_r(23)) & 523c4762a1bSJed Brown & +(an_r(21) + an_r(24) + an_r(25) + an_r(26)) 524c4762a1bSJed Brown 525c4762a1bSJed Brown do i = 1,26 526c4762a1bSJed Brown write(44,*)i,f_eq(i) 527c4762a1bSJed Brown enddo 528c4762a1bSJed Brown 529c4762a1bSJed Brown return 530c4762a1bSJed Brown end 531c4762a1bSJed Brown 532c4762a1bSJed Brown subroutine ShashiFormJacobian(an_r,d_eq) 533c4762a1bSJed Brown! implicit PetscScalar (a-h,o-z) 534c4762a1bSJed Brown implicit none 535c4762a1bSJed Brown PetscScalar an_c_additive 536c4762a1bSJed Brown PetscScalar an_h_additive 537c4762a1bSJed Brown PetscScalar an_o_additive 538c4762a1bSJed Brown PetscScalar atom_c_init 539c4762a1bSJed Brown PetscScalar atom_h_init 540c4762a1bSJed Brown PetscScalar atom_n_init 541c4762a1bSJed Brown PetscScalar atom_o_init 542c4762a1bSJed Brown PetscScalar h_init 543c4762a1bSJed Brown PetscScalar p_init 544c4762a1bSJed Brown PetscInt nfuel 545c4762a1bSJed Brown PetscScalar temp,pt 546c4762a1bSJed Brown PetscScalar an_t,ai_o2,sum_h 547c4762a1bSJed Brown PetscScalar an_tot1_d,an_tot1 548c4762a1bSJed Brown PetscScalar an_tot2_d,an_tot2 549c4762a1bSJed Brown PetscScalar const5,const3,const2 550c4762a1bSJed Brown PetscScalar const_cube 551c4762a1bSJed Brown PetscScalar const_five 552c4762a1bSJed Brown PetscScalar const_four 553c4762a1bSJed Brown PetscScalar const_six 554c4762a1bSJed Brown PetscInt jj,jb,ii3,id,ib,ip,i 555c4762a1bSJed Brown PetscScalar pt2,pt1 556c4762a1bSJed Brown PetscScalar an_r(26),k_eq(23),f_eq(26) 557c4762a1bSJed Brown PetscScalar d_eq(26,26),H_molar(26) 558c4762a1bSJed Brown PetscInt an_h(1),an_c(1) 559c4762a1bSJed Brown PetscScalar ai_pwr1,part_p(26),idiff 560c4762a1bSJed Brown PetscInt i_cc,i_hh 561c4762a1bSJed Brown PetscInt i_h2o,i_pwr2,i_co2_h2o 562c4762a1bSJed Brown PetscScalar pt_cube,pt_five 563c4762a1bSJed Brown PetscScalar pt_four 564c4762a1bSJed Brown PetscScalar pt_val1,pt_val2,a_io2 565c4762a1bSJed Brown PetscInt j 566c4762a1bSJed Brown 567c4762a1bSJed Brown pt = 0.1 568c4762a1bSJed Brown atom_c_init =6.7408177364816552D-022 569c4762a1bSJed Brown atom_h_init = 2.0 570c4762a1bSJed Brown atom_o_init = 1.0 571c4762a1bSJed Brown atom_n_init = 3.76 572c4762a1bSJed Brown nfuel = 1 573c4762a1bSJed Brown an_c(1) = 1 574c4762a1bSJed Brown an_h(1) = 4 575c4762a1bSJed Brown an_c_additive = 2 576c4762a1bSJed Brown an_h_additive = 6 577c4762a1bSJed Brown an_o_additive = 1 578c4762a1bSJed Brown h_init = 128799.7267952987 579c4762a1bSJed Brown p_init = 0.1 580c4762a1bSJed Brown temp = 1500 581c4762a1bSJed Brown 582c4762a1bSJed Brown k_eq( 1) = 1.75149D-05 583c4762a1bSJed Brown k_eq( 2) = 4.01405D-06 584c4762a1bSJed Brown k_eq( 3) = 6.04663D-14 585c4762a1bSJed Brown k_eq( 4) = 2.73612D-01 586c4762a1bSJed Brown k_eq( 5) = 3.25592D-03 587c4762a1bSJed Brown k_eq( 6) = 5.33568D+05 588c4762a1bSJed Brown k_eq( 7) = 2.07479D+05 589c4762a1bSJed Brown k_eq( 8) = 1.11841D-02 590c4762a1bSJed Brown k_eq( 9) = 1.72684D-03 591c4762a1bSJed Brown k_eq(10) = 1.98588D-07 592c4762a1bSJed Brown k_eq(11) = 7.23600D+27 593c4762a1bSJed Brown k_eq(12) = 5.73926D+49 594c4762a1bSJed Brown k_eq(13) = 1.00000D+00 595c4762a1bSJed Brown k_eq(14) = 1.64493D+16 596c4762a1bSJed Brown k_eq(15) = 2.73837D-29 597c4762a1bSJed Brown k_eq(16) = 3.27419D+50 598c4762a1bSJed Brown k_eq(17) = 1.72447D-23 599c4762a1bSJed Brown k_eq(18) = 4.24657D-06 600c4762a1bSJed Brown k_eq(19) = 1.16065D-14 601c4762a1bSJed Brown k_eq(20) = 3.28020D+25 602c4762a1bSJed Brown k_eq(21) = 1.06291D+00 603c4762a1bSJed Brown k_eq(22) = 9.11507D+02 604c4762a1bSJed Brown k_eq(23) = 6.02837D+03 605c4762a1bSJed Brown 606c4762a1bSJed Brown H_molar( 1) = 3.26044D+03 607c4762a1bSJed Brown H_molar( 2) = -8.00407D+04 608c4762a1bSJed Brown H_molar( 3) = 4.05873D+04 609c4762a1bSJed Brown H_molar( 4) = -3.31849D+05 610c4762a1bSJed Brown H_molar( 5) = -1.93654D+05 611c4762a1bSJed Brown H_molar( 6) = 3.84035D+04 612c4762a1bSJed Brown H_molar( 7) = 4.97589D+05 613c4762a1bSJed Brown H_molar( 8) = 2.74483D+05 614c4762a1bSJed Brown H_molar( 9) = 1.30022D+05 615c4762a1bSJed Brown H_molar(10) = 7.58429D+04 616c4762a1bSJed Brown H_molar(11) = 2.42948D+05 617c4762a1bSJed Brown H_molar(12) = 1.44588D+05 618c4762a1bSJed Brown H_molar(13) = -7.16891D+04 619c4762a1bSJed Brown H_molar(14) = 3.63075D+04 620c4762a1bSJed Brown H_molar(15) = 9.23880D+04 621c4762a1bSJed Brown H_molar(16) = 6.50477D+04 622c4762a1bSJed Brown H_molar(17) = 3.04310D+05 623c4762a1bSJed Brown H_molar(18) = 7.41707D+05 624c4762a1bSJed Brown H_molar(19) = 6.32767D+05 625c4762a1bSJed Brown H_molar(20) = 8.90624D+05 626c4762a1bSJed Brown H_molar(21) = 2.49805D+04 627c4762a1bSJed Brown H_molar(22) = 6.43473D+05 628c4762a1bSJed Brown H_molar(23) = 1.02861D+06 629c4762a1bSJed Brown H_molar(24) = -6.07503D+03 630c4762a1bSJed Brown H_molar(25) = 1.27020D+05 631c4762a1bSJed Brown H_molar(26) = -1.07011D+05 632c4762a1bSJed Brown 633c4762a1bSJed Brown! 634c4762a1bSJed Brown!======= 635c4762a1bSJed Brown do jb = 1,26 636c4762a1bSJed Brown do ib = 1,26 637c4762a1bSJed Brown d_eq(ib,jb) = 0.0d0 638c4762a1bSJed Brown end do 639c4762a1bSJed Brown end do 640c4762a1bSJed Brown 641c4762a1bSJed Brown an_t = 0.0 642c4762a1bSJed Brown do id = 1,26 643c4762a1bSJed Brown an_t = an_t + an_r(id) 644c4762a1bSJed Brown enddo 645c4762a1bSJed Brown 646c4762a1bSJed Brown!==== 647c4762a1bSJed Brown!==== 648c4762a1bSJed Brown d_eq(1,1) = -an_h(1) 649c4762a1bSJed Brown d_eq(1,2) = -an_h_additive 650c4762a1bSJed Brown d_eq(1,5) = -2 651c4762a1bSJed Brown d_eq(1,10) = -1 652c4762a1bSJed Brown d_eq(1,11) = -1 653c4762a1bSJed Brown d_eq(1,14) = -2 654c4762a1bSJed Brown d_eq(1,16) = -1 655c4762a1bSJed Brown d_eq(1,17) = -2 656c4762a1bSJed Brown d_eq(1,19) = -1 657c4762a1bSJed Brown d_eq(1,20) = -1 658c4762a1bSJed Brown d_eq(1,22) = -3 659c4762a1bSJed Brown d_eq(1,26) = -1 660c4762a1bSJed Brown 661c4762a1bSJed Brown d_eq(2,2) = -1*an_o_additive 662c4762a1bSJed Brown d_eq(2,3) = -2 663c4762a1bSJed Brown d_eq(2,4) = -2 664c4762a1bSJed Brown d_eq(2,5) = -1 665c4762a1bSJed Brown d_eq(2,8) = -1 666c4762a1bSJed Brown d_eq(2,9) = -1 667c4762a1bSJed Brown d_eq(2,10) = -1 668c4762a1bSJed Brown d_eq(2,12) = -1 669c4762a1bSJed Brown d_eq(2,13) = -1 670c4762a1bSJed Brown d_eq(2,15) = -2 671c4762a1bSJed Brown d_eq(2,16) = -2 672c4762a1bSJed Brown d_eq(2,20) = -1 673c4762a1bSJed Brown d_eq(2,22) = -1 674c4762a1bSJed Brown d_eq(2,23) = -1 675c4762a1bSJed Brown d_eq(2,24) = -2 676c4762a1bSJed Brown d_eq(2,25) = -1 677c4762a1bSJed Brown d_eq(2,26) = -1 678c4762a1bSJed Brown 679c4762a1bSJed Brown d_eq(6,6) = -2 680c4762a1bSJed Brown d_eq(6,7) = -1 681c4762a1bSJed Brown d_eq(6,9) = -1 682c4762a1bSJed Brown d_eq(6,12) = -2 683c4762a1bSJed Brown d_eq(6,15) = -1 684c4762a1bSJed Brown d_eq(6,23) = -1 685c4762a1bSJed Brown 686c4762a1bSJed Brown d_eq(4,1) = -an_c(1) 687c4762a1bSJed Brown d_eq(4,2) = -an_c_additive 688c4762a1bSJed Brown d_eq(4,4) = -1 689c4762a1bSJed Brown d_eq(4,13) = -1 690c4762a1bSJed Brown d_eq(4,17) = -2 691c4762a1bSJed Brown d_eq(4,18) = -1 692c4762a1bSJed Brown d_eq(4,19) = -1 693c4762a1bSJed Brown d_eq(4,20) = -1 694c4762a1bSJed Brown 695c4762a1bSJed Brown!---------- 696c4762a1bSJed Brown const2 = an_t*an_t 697c4762a1bSJed Brown const3 = (an_t)*sqrt(an_t) 698c4762a1bSJed Brown const5 = an_t*const3 699c4762a1bSJed Brown 700c4762a1bSJed Brown const_cube = an_t*an_t*an_t 701c4762a1bSJed Brown const_four = const2*const2 702c4762a1bSJed Brown const_five = const2*const_cube 703c4762a1bSJed Brown const_six = const_cube*const_cube 704c4762a1bSJed Brown pt_cube = pt*pt*pt 705c4762a1bSJed Brown pt_four = pt_cube*pt 706c4762a1bSJed Brown pt_five = pt_cube*pt*pt 707c4762a1bSJed Brown 708c4762a1bSJed Brown i_cc = an_c(1) 709c4762a1bSJed Brown i_hh = an_h(1) 710c4762a1bSJed Brown ai_o2 = i_cc + float(i_hh)/4.0 711c4762a1bSJed Brown i_co2_h2o = i_cc + i_hh/2 712c4762a1bSJed Brown i_h2o = i_hh/2 713c4762a1bSJed Brown ai_pwr1 = 1 + i_cc + float(i_hh)/4.0 714c4762a1bSJed Brown i_pwr2 = i_cc + i_hh/2 715c4762a1bSJed Brown idiff = (i_cc + i_h2o) - (ai_o2 + 1) 716c4762a1bSJed Brown 717c4762a1bSJed Brown pt1 = pt**(ai_pwr1) 718c4762a1bSJed Brown an_tot1 = an_t**(ai_pwr1) 719c4762a1bSJed Brown pt_val1 = (pt/an_t)**(ai_pwr1) 720c4762a1bSJed Brown an_tot1_d = an_tot1*an_t 721c4762a1bSJed Brown 722c4762a1bSJed Brown pt2 = pt**(i_pwr2) 723c4762a1bSJed Brown an_tot2 = an_t**(i_pwr2) 724c4762a1bSJed Brown pt_val2 = (pt/an_t)**(i_pwr2) 725c4762a1bSJed Brown an_tot2_d = an_tot2*an_t 726c4762a1bSJed Brown 727c4762a1bSJed Brown d_eq(5,1) = & 728c4762a1bSJed Brown & -(an_r(4)**i_cc)*(an_r(5)**i_h2o) & 729c4762a1bSJed Brown & *((pt/an_t)**idiff) *(-idiff/an_t) 730c4762a1bSJed Brown 731c4762a1bSJed Brown do jj = 2,26 732c4762a1bSJed Brown d_eq(5,jj) = d_eq(5,1) 733c4762a1bSJed Brown enddo 734c4762a1bSJed Brown 735c4762a1bSJed Brown d_eq(5,1) = d_eq(5,1) + k_eq(11)* (an_r(3) **ai_o2) 736c4762a1bSJed Brown 737c4762a1bSJed Brown d_eq(5,3) = d_eq(5,3) + k_eq(11)* (ai_o2*an_r(3)**(ai_o2-1)) & 738c4762a1bSJed Brown & * an_r(1) 739c4762a1bSJed Brown 740c4762a1bSJed Brown d_eq(5,4) = d_eq(5,4) - (i_cc*an_r(4)**(i_cc-1))* & 741c4762a1bSJed Brown & (an_r(5)**i_h2o)* ((pt/an_t)**idiff) 742c4762a1bSJed Brown d_eq(5,5) = d_eq(5,5) & 743c4762a1bSJed Brown & - (i_h2o*(an_r(5)**(i_h2o-1))) & 744c4762a1bSJed Brown & * (an_r(4)**i_cc)* ((pt/an_t)**idiff) 745c4762a1bSJed Brown 746c4762a1bSJed Brown d_eq(3,1) = -(an_r(4)**2)*(an_r(5)**3)*(pt/an_t)*(-1.0/an_t) 747c4762a1bSJed Brown do jj = 2,26 748c4762a1bSJed Brown d_eq(3,jj) = d_eq(3,1) 749c4762a1bSJed Brown enddo 750c4762a1bSJed Brown 751c4762a1bSJed Brown d_eq(3,2) = d_eq(3,2) + k_eq(12)* (an_r(3)**3) 752c4762a1bSJed Brown 753c4762a1bSJed Brown d_eq(3,3) = d_eq(3,3) + k_eq(12)* (3*an_r(3)**2)*an_r(2) 754c4762a1bSJed Brown 755c4762a1bSJed Brown d_eq(3,4) = d_eq(3,4) - 2*an_r(4)*(an_r(5)**3)*(pt/an_t) 756c4762a1bSJed Brown 757c4762a1bSJed Brown d_eq(3,5) = d_eq(3,5) - 3*(an_r(5)**2)*(an_r(4)**2)*(pt/an_t) 758c4762a1bSJed Brown! & *(pt_five/const_five) 759c4762a1bSJed Brown 760c4762a1bSJed Brown do ii3 = 1,26 761c4762a1bSJed Brown d_eq(3,ii3) = 0.0d0 762c4762a1bSJed Brown enddo 763c4762a1bSJed Brown d_eq(3,2) = 1.0d0 764c4762a1bSJed Brown 765c4762a1bSJed Brown d_eq(7,1) = pt*an_r(11)*(-1.0)/const2 & 766c4762a1bSJed Brown & -k_eq(1)*sqrt(pt)*sqrt(an_r(14)+1d-50)*(-0.5/const3) 767c4762a1bSJed Brown 768c4762a1bSJed Brown do jj = 2,26 769c4762a1bSJed Brown d_eq(7,jj) = d_eq(7,1) 770c4762a1bSJed Brown enddo 771c4762a1bSJed Brown 772c4762a1bSJed Brown d_eq(7,11) = d_eq(7,11) + pt/an_t 773c4762a1bSJed Brown d_eq(7,14) = d_eq(7,14) & 774c4762a1bSJed Brown & - k_eq(1)*sqrt(pt)*(0.5/(sqrt((an_r(14)+1d-50)*an_t))) 775c4762a1bSJed Brown 776c4762a1bSJed Brown d_eq(8,1) = pt*an_r(8)*(-1.0)/const2 & 777c4762a1bSJed Brown & -k_eq(2)*sqrt(pt)*sqrt(an_r(3)+1.0d-50)*(-0.5/const3) 778c4762a1bSJed Brown 779c4762a1bSJed Brown do jj = 2,26 780c4762a1bSJed Brown d_eq(8,jj) = d_eq(8,1) 781c4762a1bSJed Brown enddo 782c4762a1bSJed Brown 783c4762a1bSJed Brown d_eq(8,3) = d_eq(8,3) & 784c4762a1bSJed Brown & -k_eq(2)*sqrt(pt)*(0.5/(sqrt((an_r(3)+1.0d-50)*an_t))) 785c4762a1bSJed Brown d_eq(8,8) = d_eq(8,8) + pt/an_t 786c4762a1bSJed Brown 787c4762a1bSJed Brown d_eq(9,1) = pt*an_r(7)*(-1.0)/const2 & 788c4762a1bSJed Brown & -k_eq(3)*sqrt(pt)*sqrt(an_r(6))*(-0.5/const3) 789c4762a1bSJed Brown 790c4762a1bSJed Brown do jj = 2,26 791c4762a1bSJed Brown d_eq(9,jj) = d_eq(9,1) 792c4762a1bSJed Brown enddo 793c4762a1bSJed Brown 794c4762a1bSJed Brown d_eq(9,7) = d_eq(9,7) + pt/an_t 795c4762a1bSJed Brown d_eq(9,6) = d_eq(9,6) & 796c4762a1bSJed Brown & -k_eq(3)*sqrt(pt)*(0.5/(sqrt(an_r(6)*an_t))) 797c4762a1bSJed Brown 798c4762a1bSJed Brown d_eq(10,1) = pt*an_r(10)*(-1.0)/const2 & 799c4762a1bSJed Brown & -k_eq(4)*(pt)*sqrt((an_r(3)+1.0d-50) & 800c4762a1bSJed Brown & *an_r(14))*(-1.0/const2) 801c4762a1bSJed Brown do jj = 2,26 802c4762a1bSJed Brown d_eq(10,jj) = d_eq(10,1) 803c4762a1bSJed Brown enddo 804c4762a1bSJed Brown 805c4762a1bSJed Brown d_eq(10,3) = d_eq(10,3) & 806c4762a1bSJed Brown & -k_eq(4)*(pt)*sqrt(an_r(14)) & 807c4762a1bSJed Brown & *(0.5/(sqrt(an_r(3)+1.0d-50)*an_t)) 808c4762a1bSJed Brown d_eq(10,10) = d_eq(10,10) + pt/an_t 809c4762a1bSJed Brown d_eq(10,14) = d_eq(10,14) & 810c4762a1bSJed Brown & -k_eq(4)*(pt)*sqrt(an_r(3)+1.0d-50) & 811c4762a1bSJed Brown & *(0.5/(sqrt(an_r(14)+1.0d-50)*an_t)) 812c4762a1bSJed Brown 813c4762a1bSJed Brown d_eq(11,1) = pt*an_r(9)*(-1.0)/const2 & 814c4762a1bSJed Brown & -k_eq(5)*(pt)*sqrt((an_r(3)+1.0d-50)*an_r(6)) & 815c4762a1bSJed Brown & *(-1.0/const2) 816c4762a1bSJed Brown 817c4762a1bSJed Brown do jj = 2,26 818c4762a1bSJed Brown d_eq(11,jj) = d_eq(11,1) 819c4762a1bSJed Brown enddo 820c4762a1bSJed Brown 821c4762a1bSJed Brown d_eq(11,3) = d_eq(11,3) & 822c4762a1bSJed Brown & -k_eq(5)*(pt)*sqrt(an_r(6))*(0.5/ & 823c4762a1bSJed Brown & (sqrt(an_r(3)+1.0d-50)*an_t)) 824c4762a1bSJed Brown d_eq(11,6) = d_eq(11,6) & 825c4762a1bSJed Brown & -k_eq(5)*(pt)*sqrt(an_r(3)+1.0d-50) & 826c4762a1bSJed Brown & *(0.5/(sqrt(an_r(6))*an_t)) 827c4762a1bSJed Brown d_eq(11,9) = d_eq(11,9) + pt/an_t 828c4762a1bSJed Brown 829c4762a1bSJed Brown d_eq(12,1) = pt*an_r(5)*(-1.0)/const2 & 830c4762a1bSJed Brown & -k_eq(6)*(pt**1.5)*sqrt(an_r(3)+1.0d-50) & 831c4762a1bSJed Brown & *(an_r(14))*(-1.5/const5) 832c4762a1bSJed Brown 833c4762a1bSJed Brown do jj = 2,26 834c4762a1bSJed Brown d_eq(12,jj) = d_eq(12,1) 835c4762a1bSJed Brown enddo 836c4762a1bSJed Brown 837c4762a1bSJed Brown d_eq(12,3) = d_eq(12,3) & 838c4762a1bSJed Brown & -k_eq(6)*(pt**1.5)*((an_r(14)+1.0d-50)/const3) & 839c4762a1bSJed Brown & *(0.5/sqrt(an_r(3)+1.0d-50)) 840c4762a1bSJed Brown 841c4762a1bSJed Brown d_eq(12,5) = d_eq(12,5) + pt/an_t 842c4762a1bSJed Brown d_eq(12,14) = d_eq(12,14) & 843c4762a1bSJed Brown & -k_eq(6)*(pt**1.5)*(sqrt(an_r(3)+1.0d-50)/const3) 844c4762a1bSJed Brown 845c4762a1bSJed Brown d_eq(13,1) = pt*an_r(4)*(-1.0)/const2 & 846c4762a1bSJed Brown & -k_eq(7)*(pt**1.5)*sqrt(an_r(3)+1.0d-50) & 847c4762a1bSJed Brown & *(an_r(13))*(-1.5/const5) 848c4762a1bSJed Brown 849c4762a1bSJed Brown do jj = 2,26 850c4762a1bSJed Brown d_eq(13,jj) = d_eq(13,1) 851c4762a1bSJed Brown enddo 852c4762a1bSJed Brown 853c4762a1bSJed Brown d_eq(13,3) = d_eq(13,3) & 854c4762a1bSJed Brown & -k_eq(7)*(pt**1.5)*(an_r(13)/const3) & 855c4762a1bSJed Brown & *(0.5/sqrt(an_r(3)+1.0d-50)) 856c4762a1bSJed Brown 857c4762a1bSJed Brown d_eq(13,4) = d_eq(13,4) + pt/an_t 858c4762a1bSJed Brown d_eq(13,13) = d_eq(13,13) & 859c4762a1bSJed Brown & -k_eq(7)*(pt**1.5)*(sqrt(an_r(3)+1.0d-50)/const3) 860c4762a1bSJed Brown 861c4762a1bSJed Brown d_eq(14,1) = pt*an_r(15)*(-1.0)/const2 & 862c4762a1bSJed Brown & -k_eq(8)*(pt**1.5)*sqrt(an_r(3)+1.0d-50) & 863c4762a1bSJed Brown & *(an_r(9))*(-1.5/const5) 864c4762a1bSJed Brown 865c4762a1bSJed Brown do jj = 2,26 866c4762a1bSJed Brown d_eq(14,jj) = d_eq(14,1) 867c4762a1bSJed Brown enddo 868c4762a1bSJed Brown 869c4762a1bSJed Brown d_eq(14,3) = d_eq(14,3) & 870c4762a1bSJed Brown & -k_eq(8)*(pt**1.5)*(an_r(9)/const3) & 871c4762a1bSJed Brown & *(0.5/sqrt(an_r(3)+1.0d-50)) 872c4762a1bSJed Brown d_eq(14,9) = d_eq(14,9) & 873c4762a1bSJed Brown & -k_eq(8)*(pt**1.5)*(sqrt(an_r(3)+1.0d-50)/const3) 874c4762a1bSJed Brown d_eq(14,15) = d_eq(14,15)+ pt/an_t 875c4762a1bSJed Brown 876c4762a1bSJed Brown d_eq(15,1) = pt*an_r(16)*(-1.0)/const2 & 877c4762a1bSJed Brown & -k_eq(9)*(pt**1.5)*sqrt(an_r(14)+1.0d-50) & 878c4762a1bSJed Brown & *(an_r(3))*(-1.5/const5) 879c4762a1bSJed Brown 880c4762a1bSJed Brown do jj = 2,26 881c4762a1bSJed Brown d_eq(15,jj) = d_eq(15,1) 882c4762a1bSJed Brown enddo 883c4762a1bSJed Brown 884c4762a1bSJed Brown d_eq(15,3) = d_eq(15,3) & 885c4762a1bSJed Brown & -k_eq(9)*(pt**1.5)*(sqrt(an_r(14)+1.0d-50)/const3) 886c4762a1bSJed Brown d_eq(15,14) = d_eq(15,14) & 887c4762a1bSJed Brown & -k_eq(9)*(pt**1.5)*(an_r(3)/const3) & 888c4762a1bSJed Brown & *(0.5/sqrt(an_r(14)+1.0d-50)) 889c4762a1bSJed Brown d_eq(15,16) = d_eq(15,16) + pt/an_t 890c4762a1bSJed Brown 891c4762a1bSJed Brown d_eq(16,1) = pt*an_r(12)*(-1.0)/const2 & 892c4762a1bSJed Brown & -k_eq(10)*(pt**1.5)*sqrt(an_r(3)+1.0d-50) & 893c4762a1bSJed Brown & *(an_r(6))*(-1.5/const5) 894c4762a1bSJed Brown 895c4762a1bSJed Brown do jj = 2,26 896c4762a1bSJed Brown d_eq(16,jj) = d_eq(16,1) 897c4762a1bSJed Brown enddo 898c4762a1bSJed Brown 899c4762a1bSJed Brown d_eq(16,3) = d_eq(16,3) & 900c4762a1bSJed Brown & -k_eq(10)*(pt**1.5)*(an_r(6)/const3) & 901c4762a1bSJed Brown & *(0.5/sqrt(an_r(3)+1.0d-50)) 902c4762a1bSJed Brown 903c4762a1bSJed Brown d_eq(16,6) = d_eq(16,6) & 904c4762a1bSJed Brown & -k_eq(10)*(pt**1.5)*(sqrt(an_r(3)+1.0d-50)/const3) 905c4762a1bSJed Brown d_eq(16,12) = d_eq(16,12) + pt/an_t 906c4762a1bSJed Brown 907c4762a1bSJed Brown const_cube = an_t*an_t*an_t 908c4762a1bSJed Brown const_four = const2*const2 909c4762a1bSJed Brown 910c4762a1bSJed Brown d_eq(17,1) = an_r(14)*an_r(18)*an_r(18)*(pt**3)*(-3/const_four) & 911c4762a1bSJed Brown & - k_eq(15) * an_r(17)*pt * (-1/const2) 912c4762a1bSJed Brown do jj = 2,26 913c4762a1bSJed Brown d_eq(17,jj) = d_eq(17,1) 914c4762a1bSJed Brown enddo 915c4762a1bSJed Brown d_eq(17,14) = d_eq(17,14) + an_r(18)*an_r(18)*(pt**3)/const_cube 916c4762a1bSJed Brown d_eq(17,17) = d_eq(17,17) - k_eq(15)*pt/an_t 917c4762a1bSJed Brown d_eq(17,18) = d_eq(17,18) + 2*an_r(18)*an_r(14) & 918c4762a1bSJed Brown & *(pt**3)/const_cube 919c4762a1bSJed Brown 920c4762a1bSJed Brown d_eq(18,1) = an_r(13)*an_r(13)*(pt**2)*(-2/const_cube) & 921c4762a1bSJed Brown & - k_eq(16) * an_r(3)*an_r(18)*an_r(18) & 922c4762a1bSJed Brown & * (pt*pt*pt) * (-3/const_four) 923c4762a1bSJed Brown do jj = 2,26 924c4762a1bSJed Brown d_eq(18,jj) = d_eq(18,1) 925c4762a1bSJed Brown enddo 926c4762a1bSJed Brown d_eq(18,3) = d_eq(18,3) & 927c4762a1bSJed Brown & - k_eq(16) *an_r(18)* an_r(18)*pt*pt*pt /const_cube 928c4762a1bSJed Brown d_eq(18,13) = d_eq(18,13) & 929c4762a1bSJed Brown & + 2* an_r(13)*pt*pt /const2 930c4762a1bSJed Brown d_eq(18,18) = d_eq(18,18) -k_eq(16)*an_r(3) & 931c4762a1bSJed Brown & * 2*an_r(18)*pt*pt*pt/const_cube 932c4762a1bSJed Brown 933c4762a1bSJed Brown!====for eq 19 934c4762a1bSJed Brown 935c4762a1bSJed Brown d_eq(19,1) = an_r(3)*an_r(19)*(pt**2)*(-2/const_cube) & 936c4762a1bSJed Brown & - k_eq(17)*an_r(13)*an_r(10)*pt*pt * (-2/const_cube) 937c4762a1bSJed Brown do jj = 2,26 938c4762a1bSJed Brown d_eq(19,jj) = d_eq(19,1) 939c4762a1bSJed Brown enddo 940c4762a1bSJed Brown d_eq(19,13) = d_eq(19,13) & 941c4762a1bSJed Brown & - k_eq(17) *an_r(10)*pt*pt /const2 942c4762a1bSJed Brown d_eq(19,10) = d_eq(19,10) & 943c4762a1bSJed Brown & - k_eq(17) *an_r(13)*pt*pt /const2 944c4762a1bSJed Brown d_eq(19,3) = d_eq(19,3) + an_r(19)*pt*pt/const2 945c4762a1bSJed Brown d_eq(19,19) = d_eq(19,19) + an_r(3)*pt*pt/const2 946c4762a1bSJed Brown!====for eq 20 947c4762a1bSJed Brown 948c4762a1bSJed Brown d_eq(20,1) = an_r(21)*an_r(20)*(pt**2)*(-2/const_cube) & 949c4762a1bSJed Brown & - k_eq(18) * an_r(19)*an_r(8)*pt*pt * (-2/const_cube) 950c4762a1bSJed Brown do jj = 2,26 951c4762a1bSJed Brown d_eq(20,jj) = d_eq(20,1) 952c4762a1bSJed Brown enddo 953c4762a1bSJed Brown d_eq(20,8) = d_eq(20,8) & 954c4762a1bSJed Brown & - k_eq(18) *an_r(19)*pt*pt /const2 955c4762a1bSJed Brown d_eq(20,19) = d_eq(20,19) & 956c4762a1bSJed Brown & - k_eq(18) *an_r(8)*pt*pt /const2 957c4762a1bSJed Brown d_eq(20,20) = d_eq(20,20) + an_r(21)*pt*pt/const2 958c4762a1bSJed Brown d_eq(20,21) = d_eq(20,21) + an_r(20)*pt*pt/const2 959c4762a1bSJed Brown 960c4762a1bSJed Brown!======== 961c4762a1bSJed Brown!====for eq 21 962c4762a1bSJed Brown 963c4762a1bSJed Brown d_eq(21,1) = an_r(21)*an_r(23)*(pt**2)*(-2/const_cube) & 964c4762a1bSJed Brown & - k_eq(19)*an_r(7)*an_r(8)*pt*pt * (-2/const_cube) 965c4762a1bSJed Brown do jj = 2,26 966c4762a1bSJed Brown d_eq(21,jj) = d_eq(21,1) 967c4762a1bSJed Brown enddo 968c4762a1bSJed Brown d_eq(21,7) = d_eq(21,7) & 969c4762a1bSJed Brown & - k_eq(19) *an_r(8)*pt*pt /const2 970c4762a1bSJed Brown d_eq(21,8) = d_eq(21,8) & 971c4762a1bSJed Brown & - k_eq(19) *an_r(7)*pt*pt /const2 972c4762a1bSJed Brown d_eq(21,21) = d_eq(21,21) + an_r(23)*pt*pt/const2 973c4762a1bSJed Brown d_eq(21,23) = d_eq(21,23) + an_r(21)*pt*pt/const2 974c4762a1bSJed Brown 975c4762a1bSJed Brown!======== 976c4762a1bSJed Brown! for 22 977c4762a1bSJed Brown d_eq(22,1) = an_r(5)*an_r(11)*(pt**2)*(-2/const_cube) & 978c4762a1bSJed Brown & -k_eq(20)*an_r(21)*an_r(22)*pt*pt * (-2/const_cube) 979c4762a1bSJed Brown do jj = 2,26 980c4762a1bSJed Brown d_eq(22,jj) = d_eq(22,1) 981c4762a1bSJed Brown enddo 982c4762a1bSJed Brown d_eq(22,21) = d_eq(22,21) & 983c4762a1bSJed Brown & - k_eq(20) *an_r(22)*pt*pt /const2 984c4762a1bSJed Brown d_eq(22,22) = d_eq(22,22) & 985c4762a1bSJed Brown & - k_eq(20) *an_r(21)*pt*pt /const2 986c4762a1bSJed Brown d_eq(22,11) = d_eq(22,11) + an_r(5)*pt*pt/(const2) 987c4762a1bSJed Brown d_eq(22,5) = d_eq(22,5) + an_r(11)*pt*pt/(const2) 988c4762a1bSJed Brown 989c4762a1bSJed Brown!======== 990c4762a1bSJed Brown! for 23 991c4762a1bSJed Brown 992c4762a1bSJed Brown d_eq(23,1) = an_r(24)*(pt)*(-1/const2) & 993c4762a1bSJed Brown & - k_eq(21)*an_r(21)*an_r(3)*pt*pt * (-2/const_cube) 994c4762a1bSJed Brown do jj = 2,26 995c4762a1bSJed Brown d_eq(23,jj) = d_eq(23,1) 996c4762a1bSJed Brown enddo 997c4762a1bSJed Brown d_eq(23,3) = d_eq(23,3) & 998c4762a1bSJed Brown & - k_eq(21) *an_r(21)*pt*pt /const2 999c4762a1bSJed Brown d_eq(23,21) = d_eq(23,21) & 1000c4762a1bSJed Brown & - k_eq(21) *an_r(3)*pt*pt /const2 1001c4762a1bSJed Brown d_eq(23,24) = d_eq(23,24) + pt/(an_t) 1002c4762a1bSJed Brown 1003c4762a1bSJed Brown!======== 1004c4762a1bSJed Brown! for 24 1005c4762a1bSJed Brown d_eq(24,1) = an_r(3)*an_r(25)*(pt**2)*(-2/const_cube) & 1006c4762a1bSJed Brown & - k_eq(22)*an_r(24)*an_r(8)*pt*pt * (-2/const_cube) 1007c4762a1bSJed Brown do jj = 2,26 1008c4762a1bSJed Brown d_eq(24,jj) = d_eq(24,1) 1009c4762a1bSJed Brown enddo 1010c4762a1bSJed Brown d_eq(24,8) = d_eq(24,8) & 1011c4762a1bSJed Brown & - k_eq(22) *an_r(24)*pt*pt /const2 1012c4762a1bSJed Brown d_eq(24,24) = d_eq(24,24) & 1013c4762a1bSJed Brown & - k_eq(22) *an_r(8)*pt*pt /const2 1014c4762a1bSJed Brown d_eq(24,3) = d_eq(24,3) + an_r(25)*pt*pt/const2 1015c4762a1bSJed Brown d_eq(24,25) = d_eq(24,25) + an_r(3)*pt*pt/const2 1016c4762a1bSJed Brown 1017c4762a1bSJed Brown!======== 1018c4762a1bSJed Brown!for 25 1019c4762a1bSJed Brown 1020c4762a1bSJed Brown d_eq(25,1) = an_r(26)*(pt)*(-1/const2) & 1021c4762a1bSJed Brown & - k_eq(23)*an_r(21)*an_r(10)*pt*pt * (-2/const_cube) 1022c4762a1bSJed Brown do jj = 2,26 1023c4762a1bSJed Brown d_eq(25,jj) = d_eq(25,1) 1024c4762a1bSJed Brown enddo 1025c4762a1bSJed Brown d_eq(25,10) = d_eq(25,10) & 1026c4762a1bSJed Brown & - k_eq(23) *an_r(21)*pt*pt /const2 1027c4762a1bSJed Brown d_eq(25,21) = d_eq(25,21) & 1028c4762a1bSJed Brown & - k_eq(23) *an_r(10)*pt*pt /const2 1029c4762a1bSJed Brown d_eq(25,26) = d_eq(25,26) + pt/(an_t) 1030c4762a1bSJed Brown 1031c4762a1bSJed Brown!============ 1032c4762a1bSJed Brown! for 26 1033c4762a1bSJed Brown d_eq(26,20) = -1 1034c4762a1bSJed Brown d_eq(26,22) = -1 1035c4762a1bSJed Brown d_eq(26,23) = -1 1036c4762a1bSJed Brown d_eq(26,21) = 1 1037c4762a1bSJed Brown d_eq(26,24) = 1 1038c4762a1bSJed Brown d_eq(26,25) = 1 1039c4762a1bSJed Brown d_eq(26,26) = 1 1040c4762a1bSJed Brown 1041c4762a1bSJed Brown do j = 1,26 1042c4762a1bSJed Brown do i = 1,26 1043c4762a1bSJed Brown write(44,*)i,j,d_eq(i,j) 1044c4762a1bSJed Brown enddo 1045c4762a1bSJed Brown enddo 1046c4762a1bSJed Brown 1047c4762a1bSJed Brown return 1048c4762a1bSJed Brown end 1049c4762a1bSJed Brown 1050c4762a1bSJed Brown subroutine ShashiPostCheck(ls,X,Y,W,c_Y,c_W,dummy) 1051c4762a1bSJed Brown#include <petsc/finclude/petscsnes.h> 1052c4762a1bSJed Brown use petscsnes 1053c4762a1bSJed Brown implicit none 1054c4762a1bSJed Brown SNESLineSearch ls 1055c4762a1bSJed Brown PetscErrorCode ierr 1056c4762a1bSJed Brown Vec X,Y,W 1057c4762a1bSJed Brown PetscObject dummy 1058c4762a1bSJed Brown PetscBool c_Y,c_W 1059c4762a1bSJed Brown PetscScalar,pointer :: xx(:) 1060c4762a1bSJed Brown PetscInt i 1061d8606c27SBarry Smith PetscCall(VecGetArrayF90(W,xx,ierr)) 1062c4762a1bSJed Brown do i=1,26 1063c4762a1bSJed Brown if (xx(i) < 0.0) then 1064c4762a1bSJed Brown xx(i) = 0.0 1065c4762a1bSJed Brown c_W = PETSC_TRUE 1066c4762a1bSJed Brown endif 1067c4762a1bSJed Brown if (xx(i) > 3.0) then 1068c4762a1bSJed Brown xx(i) = 3.0 1069c4762a1bSJed Brown endif 1070c4762a1bSJed Brown enddo 1071d8606c27SBarry Smith PetscCall(VecRestoreArrayF90(W,xx,ierr)) 1072c4762a1bSJed Brown return 1073c4762a1bSJed Brown end 1074