Lines Matching +full:- +full:d
8 ! ------------------------------------------------------------------------
10 ! FormFunction - Evaluates nonlinear function, F(x).
13 ! snes - the SNES context
14 ! x - input vector
15 ! dummy - optional user-defined context (not used here)
18 ! f - function vector
31 ! - For default PETSc vectors, VecGetArray() returns a pointer to
33 ! - You MUST call VecRestoreArray() when you no longer need access to
35 ! - Note that the Fortran interface to VecGetArray() differs from the
46 ! ---------------------------------------------------------------------
48 ! FormJacobian - Evaluates Jacobian matrix.
51 ! snes - the SNES context
52 ! x - input vector
53 ! dummy - optional user-defined context (not used here)
56 ! A - Jacobian matrix
57 ! B - optionally different matrix used to construct the preconditioner
89 an_r(i) = 1000.0/6.023D+23
109 atom_c_init = 6.7408177364816552D-022
123 an_r(1) = 1.66000D-24
124 an_r(2) = 1.66030D-22
125 an_r(3) = 5.00000D-01
126 an_r(4) = 1.66030D-22
127 an_r(5) = 1.66030D-22
128 an_r(6) = 1.88000D+00
129 an_r(7) = 1.66030D-22
130 an_r(8) = 1.66030D-22
131 an_r(9) = 1.66030D-22
132 an_r(10) = 1.66030D-22
133 an_r(11) = 1.66030D-22
134 an_r(12) = 1.66030D-22
135 an_r(13) = 1.66030D-22
136 an_r(14) = 1.00000D+00
137 an_r(15) = 1.66030D-22
138 an_r(16) = 1.66030D-22
139 an_r(17) = 1.66000D-24
140 an_r(18) = 1.66030D-24
141 an_r(19) = 1.66030D-24
142 an_r(20) = 1.66030D-24
143 an_r(21) = 1.66030D-24
144 an_r(22) = 1.66030D-24
145 an_r(23) = 1.66030D-24
146 an_r(24) = 1.66030D-24
147 an_r(25) = 1.66030D-24
148 an_r(26) = 1.66030D-24
156 an_r(1) = 3.802208D-33
157 an_r(2) = 1.298287D-29
158 an_r(3) = 2.533067D-04
159 an_r(4) = 6.865078D-22
160 an_r(5) = 9.993125D-01
161 an_r(6) = 1.879964D+00
162 an_r(7) = 4.449489D-13
163 an_r(8) = 3.428687D-07
164 an_r(9) = 7.105138D-05
165 an_r(10) = 1.094368D-04
166 an_r(11) = 2.362305D-06
167 an_r(12) = 1.107145D-09
168 an_r(13) = 1.276162D-24
169 an_r(14) = 6.315538D-04
170 an_r(15) = 2.356540D-09
171 an_r(16) = 2.048248D-09
172 an_r(17) = 1.966187D-22
173 an_r(18) = 7.856497D-29
174 an_r(19) = 1.987840D-36
175 an_r(20) = 8.182441D-22
176 an_r(21) = 2.684880D-16
177 an_r(22) = 2.680473D-16
178 an_r(23) = 6.594967D-18
179 an_r(24) = 2.509714D-21
180 an_r(25) = 3.096459D-21
181 an_r(26) = 6.149551D-18
207 atom_c_init = 6.7408177364816552D-022
221 k_eq(1) = 1.75149D-05
222 k_eq(2) = 4.01405D-06
223 k_eq(3) = 6.04663D-14
224 k_eq(4) = 2.73612D-01
225 k_eq(5) = 3.25592D-03
226 k_eq(6) = 5.33568D+05
227 k_eq(7) = 2.07479D+05
228 k_eq(8) = 1.11841D-02
229 k_eq(9) = 1.72684D-03
230 k_eq(10) = 1.98588D-07
231 k_eq(11) = 7.23600D+27
232 k_eq(12) = 5.73926D+49
233 k_eq(13) = 1.00000D+00
234 k_eq(14) = 1.64493D+16
235 k_eq(15) = 2.73837D-29
236 k_eq(16) = 3.27419D+50
237 k_eq(17) = 1.72447D-23
238 k_eq(18) = 4.24657D-06
239 k_eq(19) = 1.16065D-14
240 k_eq(20) = 3.28020D+25
241 k_eq(21) = 1.06291D+00
242 k_eq(22) = 9.11507D+02
243 k_eq(23) = 6.02837D+03
245 H_molar(1) = 3.26044D+03
246 H_molar(2) = -8.00407D+04
247 H_molar(3) = 4.05873D+04
248 H_molar(4) = -3.31849D+05
249 H_molar(5) = -1.93654D+05
250 H_molar(6) = 3.84035D+04
251 H_molar(7) = 4.97589D+05
252 H_molar(8) = 2.74483D+05
253 H_molar(9) = 1.30022D+05
254 H_molar(10) = 7.58429D+04
255 H_molar(11) = 2.42948D+05
256 H_molar(12) = 1.44588D+05
257 H_molar(13) = -7.16891D+04
258 H_molar(14) = 3.63075D+04
259 H_molar(15) = 9.23880D+04
260 H_molar(16) = 6.50477D+04
261 H_molar(17) = 3.04310D+05
262 H_molar(18) = 7.41707D+05
263 H_molar(19) = 6.32767D+05
264 H_molar(20) = 8.90624D+05
265 H_molar(21) = 2.49805D+04
266 H_molar(22) = 6.43473D+05
267 H_molar(23) = 1.02861D+06
268 H_molar(24) = -6.07503D+03
269 H_molar(25) = 1.27020D+05
270 H_molar(26) = -1.07011D+05
280 - (an_h(1)*an_r(1) + an_h_additive*an_r(2) &
286 - (an_o_additive*an_r(2) + 2*an_r(3) &
292 f_eq(3) = an_r(2) - 1.0d-150
295 - (an_c(1)*an_r(1) + an_c_additive*an_r(2) &
307 idiff = (i_cc + i_h2o) - (a_io2 + 1)
310 - (an_r(4)**i_cc)*(an_r(5)**i_h2o)*((pt/an_t)**idiff)
314 - (2*an_r(6) + an_r(7) + an_r(9) + 2*an_r(12) &
319 - (k_eq(1)*sqrt(part_p(14) + 1d-23))
321 - (k_eq(2)*sqrt(part_p(3) + 1d-23))
324 - (k_eq(3)*sqrt(part_p(6) + 1d-23))
327 - (k_eq(4)*sqrt(part_p(3) + 1d-23)) &
331 - (k_eq(5)*sqrt(part_p(3) + 1d-23)) &
332 *sqrt(part_p(6) + 1d-23)
334 - (k_eq(6)*sqrt(part_p(3) + 1d-23)) &
338 - (k_eq(7)*sqrt(part_p(3) + 1.0d-23)) &
342 - (k_eq(8)*sqrt(part_p(3) + 1.0d-50)) &
345 - (k_eq(9)*part_p(3)) &
346 *sqrt(part_p(14) + 1d-23)
349 - (k_eq(10)*sqrt(part_p(3) + 1d-23)) &
353 - (k_eq(15)*part_p(17))
356 - (k_eq(16)*part_p(3)*part_p(18)**2)
359 f_eq(19) = part_p(19)*part_p(3) - k_eq(17)*part_p(13)*part_p(10)
361 f_eq(20) = part_p(21)*part_p(20) - k_eq(18)*part_p(19)*part_p(8)
363 f_eq(21) = part_p(21)*part_p(23) - k_eq(19)*part_p(7)*part_p(8)
365 f_eq(22) = part_p(5)*part_p(11) - k_eq(20)*part_p(21)*part_p(22)
367 f_eq(23) = part_p(24) - k_eq(21)*part_p(21)*part_p(3)
369 f_eq(24) = part_p(3)*part_p(25) - k_eq(22)*part_p(24)*part_p(8)
371 f_eq(25) = part_p(26) - k_eq(23)*part_p(21)*part_p(10)
373 f_eq(26) = -(an_r(20) + an_r(22) + an_r(23)) &
416 atom_c_init = 6.7408177364816552D-022
430 k_eq(1) = 1.75149D-05
431 k_eq(2) = 4.01405D-06
432 k_eq(3) = 6.04663D-14
433 k_eq(4) = 2.73612D-01
434 k_eq(5) = 3.25592D-03
435 k_eq(6) = 5.33568D+05
436 k_eq(7) = 2.07479D+05
437 k_eq(8) = 1.11841D-02
438 k_eq(9) = 1.72684D-03
439 k_eq(10) = 1.98588D-07
440 k_eq(11) = 7.23600D+27
441 k_eq(12) = 5.73926D+49
442 k_eq(13) = 1.00000D+00
443 k_eq(14) = 1.64493D+16
444 k_eq(15) = 2.73837D-29
445 k_eq(16) = 3.27419D+50
446 k_eq(17) = 1.72447D-23
447 k_eq(18) = 4.24657D-06
448 k_eq(19) = 1.16065D-14
449 k_eq(20) = 3.28020D+25
450 k_eq(21) = 1.06291D+00
451 k_eq(22) = 9.11507D+02
452 k_eq(23) = 6.02837D+03
454 H_molar(1) = 3.26044D+03
455 H_molar(2) = -8.00407D+04
456 H_molar(3) = 4.05873D+04
457 H_molar(4) = -3.31849D+05
458 H_molar(5) = -1.93654D+05
459 H_molar(6) = 3.84035D+04
460 H_molar(7) = 4.97589D+05
461 H_molar(8) = 2.74483D+05
462 H_molar(9) = 1.30022D+05
463 H_molar(10) = 7.58429D+04
464 H_molar(11) = 2.42948D+05
465 H_molar(12) = 1.44588D+05
466 H_molar(13) = -7.16891D+04
467 H_molar(14) = 3.63075D+04
468 H_molar(15) = 9.23880D+04
469 H_molar(16) = 6.50477D+04
470 H_molar(17) = 3.04310D+05
471 H_molar(18) = 7.41707D+05
472 H_molar(19) = 6.32767D+05
473 H_molar(20) = 8.90624D+05
474 H_molar(21) = 2.49805D+04
475 H_molar(22) = 6.43473D+05
476 H_molar(23) = 1.02861D+06
477 H_molar(24) = -6.07503D+03
478 H_molar(25) = 1.27020D+05
479 H_molar(26) = -1.07011D+05
496 d_eq(1, 1) = -an_h(1)
497 d_eq(1, 2) = -an_h_additive
498 d_eq(1, 5) = -2
499 d_eq(1, 10) = -1
500 d_eq(1, 11) = -1
501 d_eq(1, 14) = -2
502 d_eq(1, 16) = -1
503 d_eq(1, 17) = -2
504 d_eq(1, 19) = -1
505 d_eq(1, 20) = -1
506 d_eq(1, 22) = -3
507 d_eq(1, 26) = -1
509 d_eq(2, 2) = -1*an_o_additive
510 d_eq(2, 3) = -2
511 d_eq(2, 4) = -2
512 d_eq(2, 5) = -1
513 d_eq(2, 8) = -1
514 d_eq(2, 9) = -1
515 d_eq(2, 10) = -1
516 d_eq(2, 12) = -1
517 d_eq(2, 13) = -1
518 d_eq(2, 15) = -2
519 d_eq(2, 16) = -2
520 d_eq(2, 20) = -1
521 d_eq(2, 22) = -1
522 d_eq(2, 23) = -1
523 d_eq(2, 24) = -2
524 d_eq(2, 25) = -1
525 d_eq(2, 26) = -1
527 d_eq(6, 6) = -2
528 d_eq(6, 7) = -1
529 d_eq(6, 9) = -1
530 d_eq(6, 12) = -2
531 d_eq(6, 15) = -1
532 d_eq(6, 23) = -1
534 d_eq(4, 1) = -an_c(1)
535 d_eq(4, 2) = -an_c_additive
536 d_eq(4, 4) = -1
537 d_eq(4, 13) = -1
538 d_eq(4, 17) = -2
539 d_eq(4, 18) = -1
540 d_eq(4, 19) = -1
541 d_eq(4, 20) = -1
543 !----------
563 idiff = (i_cc + i_h2o) - (ai_o2 + 1)
576 -(an_r(4)**i_cc)*(an_r(5)**i_h2o) &
577 *((pt/an_t)**idiff)*(-idiff/an_t)
585 d_eq(5, 3) = d_eq(5, 3) + k_eq(11)*(ai_o2*an_r(3)**(ai_o2 - 1)) &
588 d_eq(5, 4) = d_eq(5, 4) - (i_cc*an_r(4)**(i_cc - 1))* &
591 - (i_h2o*(an_r(5)**(i_h2o - 1))) &
594 d_eq(3, 1) = -(an_r(4)**2)*(an_r(5)**3)*(pt/an_t)*(-1.0/an_t)
603 d_eq(3, 4) = d_eq(3, 4) - 2*an_r(4)*(an_r(5)**3)*(pt/an_t)
605 d_eq(3, 5) = d_eq(3, 5) - 3*(an_r(5)**2)*(an_r(4)**2)*(pt/an_t)
613 d_eq(7, 1) = pt*an_r(11)*(-1.0)/const2 &
614 - k_eq(1)*sqrt(pt)*sqrt(an_r(14) + 1d-50)*(-0.5/const3)
622 - k_eq(1)*sqrt(pt)*(0.5/(sqrt((an_r(14) + 1d-50)*an_t)))
624 d_eq(8, 1) = pt*an_r(8)*(-1.0)/const2 &
625 - k_eq(2)*sqrt(pt)*sqrt(an_r(3) + 1.0d-50)*(-0.5/const3)
632 - k_eq(2)*sqrt(pt)*(0.5/(sqrt((an_r(3) + 1.0d-50)*an_t)))
635 d_eq(9, 1) = pt*an_r(7)*(-1.0)/const2 &
636 - k_eq(3)*sqrt(pt)*sqrt(an_r(6))*(-0.5/const3)
644 - k_eq(3)*sqrt(pt)*(0.5/(sqrt(an_r(6)*an_t)))
646 d_eq(10, 1) = pt*an_r(10)*(-1.0)/const2 &
647 - k_eq(4)*(pt)*sqrt((an_r(3) + 1.0d-50) &
648 *an_r(14))*(-1.0/const2)
654 - k_eq(4)*(pt)*sqrt(an_r(14)) &
655 *(0.5/(sqrt(an_r(3) + 1.0d-50)*an_t))
658 - k_eq(4)*(pt)*sqrt(an_r(3) + 1.0d-50) &
659 *(0.5/(sqrt(an_r(14) + 1.0d-50)*an_t))
661 d_eq(11, 1) = pt*an_r(9)*(-1.0)/const2 &
662 - k_eq(5)*(pt)*sqrt((an_r(3) + 1.0d-50)*an_r(6)) &
663 *(-1.0/const2)
670 - k_eq(5)*(pt)*sqrt(an_r(6))*(0.5/ &
671 (sqrt(an_r(3) + 1.0d-50)*an_t))
673 - k_eq(5)*(pt)*sqrt(an_r(3) + 1.0d-50) &
677 d_eq(12, 1) = pt*an_r(5)*(-1.0)/const2 &
678 - k_eq(6)*(pt**1.5)*sqrt(an_r(3) + 1.0d-50) &
679 *(an_r(14))*(-1.5/const5)
686 - k_eq(6)*(pt**1.5)*((an_r(14) + 1.0d-50)/const3) &
687 *(0.5/sqrt(an_r(3) + 1.0d-50))
691 - k_eq(6)*(pt**1.5)*(sqrt(an_r(3) + 1.0d-50)/const3)
693 d_eq(13, 1) = pt*an_r(4)*(-1.0)/const2 &
694 - k_eq(7)*(pt**1.5)*sqrt(an_r(3) + 1.0d-50) &
695 *(an_r(13))*(-1.5/const5)
702 - k_eq(7)*(pt**1.5)*(an_r(13)/const3) &
703 *(0.5/sqrt(an_r(3) + 1.0d-50))
707 - k_eq(7)*(pt**1.5)*(sqrt(an_r(3) + 1.0d-50)/const3)
709 d_eq(14, 1) = pt*an_r(15)*(-1.0)/const2 &
710 - k_eq(8)*(pt**1.5)*sqrt(an_r(3) + 1.0d-50) &
711 *(an_r(9))*(-1.5/const5)
718 - k_eq(8)*(pt**1.5)*(an_r(9)/const3) &
719 *(0.5/sqrt(an_r(3) + 1.0d-50))
721 - k_eq(8)*(pt**1.5)*(sqrt(an_r(3) + 1.0d-50)/const3)
724 d_eq(15, 1) = pt*an_r(16)*(-1.0)/const2 &
725 - k_eq(9)*(pt**1.5)*sqrt(an_r(14) + 1.0d-50) &
726 *(an_r(3))*(-1.5/const5)
733 - k_eq(9)*(pt**1.5)*(sqrt(an_r(14) + 1.0d-50)/const3)
735 - k_eq(9)*(pt**1.5)*(an_r(3)/const3) &
736 *(0.5/sqrt(an_r(14) + 1.0d-50))
739 d_eq(16, 1) = pt*an_r(12)*(-1.0)/const2 &
740 - k_eq(10)*(pt**1.5)*sqrt(an_r(3) + 1.0d-50) &
741 *(an_r(6))*(-1.5/const5)
748 - k_eq(10)*(pt**1.5)*(an_r(6)/const3) &
749 *(0.5/sqrt(an_r(3) + 1.0d-50))
752 - k_eq(10)*(pt**1.5)*(sqrt(an_r(3) + 1.0d-50)/const3)
758 d_eq(17, 1) = an_r(14)*an_r(18)*an_r(18)*(pt**3)*(-3/const_four) &
759 - k_eq(15)*an_r(17)*pt*(-1/const2)
764 d_eq(17, 17) = d_eq(17, 17) - k_eq(15)*pt/an_t
768 d_eq(18, 1) = an_r(13)*an_r(13)*(pt**2)*(-2/const_cube) &
769 - k_eq(16)*an_r(3)*an_r(18)*an_r(18) &
770 *(pt*pt*pt)*(-3/const_four)
775 - k_eq(16)*an_r(18)*an_r(18)*pt*pt*pt/const_cube
778 d_eq(18, 18) = d_eq(18, 18) - k_eq(16)*an_r(3) &
783 d_eq(19, 1) = an_r(3)*an_r(19)*(pt**2)*(-2/const_cube) &
784 - k_eq(17)*an_r(13)*an_r(10)*pt*pt*(-2/const_cube)
789 - k_eq(17)*an_r(10)*pt*pt/const2
791 - k_eq(17)*an_r(13)*pt*pt/const2
796 d_eq(20, 1) = an_r(21)*an_r(20)*(pt**2)*(-2/const_cube) &
797 - k_eq(18)*an_r(19)*an_r(8)*pt*pt*(-2/const_cube)
802 - k_eq(18)*an_r(19)*pt*pt/const2
804 - k_eq(18)*an_r(8)*pt*pt/const2
811 d_eq(21, 1) = an_r(21)*an_r(23)*(pt**2)*(-2/const_cube) &
812 - k_eq(19)*an_r(7)*an_r(8)*pt*pt*(-2/const_cube)
817 - k_eq(19)*an_r(8)*pt*pt/const2
819 - k_eq(19)*an_r(7)*pt*pt/const2
825 d_eq(22, 1) = an_r(5)*an_r(11)*(pt**2)*(-2/const_cube) &
826 - k_eq(20)*an_r(21)*an_r(22)*pt*pt*(-2/const_cube)
831 - k_eq(20)*an_r(22)*pt*pt/const2
833 - k_eq(20)*an_r(21)*pt*pt/const2
840 d_eq(23, 1) = an_r(24)*(pt)*(-1/const2) &
841 - k_eq(21)*an_r(21)*an_r(3)*pt*pt*(-2/const_cube)
846 - k_eq(21)*an_r(21)*pt*pt/const2
848 - k_eq(21)*an_r(3)*pt*pt/const2
853 d_eq(24, 1) = an_r(3)*an_r(25)*(pt**2)*(-2/const_cube) &
854 - k_eq(22)*an_r(24)*an_r(8)*pt*pt*(-2/const_cube)
859 - k_eq(22)*an_r(24)*pt*pt/const2
861 - k_eq(22)*an_r(8)*pt*pt/const2
868 d_eq(25, 1) = an_r(26)*(pt)*(-1/const2) &
869 - k_eq(23)*an_r(21)*an_r(10)*pt*pt*(-2/const_cube)
874 - k_eq(23)*an_r(21)*pt*pt/const2
876 - k_eq(23)*an_r(10)*pt*pt/const2
881 d_eq(26, 20) = -1
882 d_eq(26, 22) = -1
883 d_eq(26, 23) = -1
924 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
926 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
929 ! snes - nonlinear solver
930 ! x, r - solution, residual vectors
931 ! J - Jacobian matrix
943 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
945 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
955 ! - - - - - - - - - -- - - - - - - - - - - - - - - - - - - - - - - - - -
957 ! - - - - - - - - - -- - - - - - - - - - - - - - - - - - - - - - - - - -
961 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
963 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
1005 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
1008 ! - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -