Grid problems in ps.file
Byeongjun Park
2021-10-05 04:08 UTC
Dear all,
Hello, I’m a newbie to use Theriak-Domino.
I’m using Windows 10 as an operating system.
After reading the post at https://research-talk.org/viewtopic.php?f=4&t=43, I downloaded the latest version of Theiak-Domino compiled with Cygwin.
To see if the program is working well, I used the THRIN and database file of sample AWBZ on https://dtinkham.net/peq.html.
In the process of reproducing the examples, only the rest of the parts except the grid appear in the ps. file.
I don’t know why these problems occurred.
I attached a few lines of the OUT data and ps file.
Thanks, Byeongjun Park
MN(0.126)NA(3.652)CA(1.303)K(5.388)FE(6.558)MG(5.854)AL(22.708)SI(69.377)TI(0.678)H(30)O(?) O(0.59022)
Bulk composition: O 208.123220
SI 69.377000
TI 0.678000
AL 22.708000
FE 6.558000
MG 5.854000
MN 0.126000
CA 1.303000
NA 3.652000
K 5.388000
H 30.000000
E 0.000000
X: Temperature [C]
Y: Pressure [Bar]
MAXIMUM LEVEL: 6 PREC = 0.0050 WPREC = 0.0400
ASSEMBLAGE: 1: x,y = 4.00000000E+02 1.00000000E+03 EP11 WM BI14 CHL14 H2O q sph ab
assemblage: EP11_ep WM_mu BI14_annm CHL14_daph H2O q sph ab
ASSEMBLAGE: 2: x,y = 4.30000000E+02 1.00000000E+03 PLC WM BI14 CHL14 MTLOW H2O q ru ab
assemblage: PLC_abh WM_mu BI14_annm CHL14_daph MTLOW_imt H2O q ru ab
ASSEMBLAGE: 3: x,y = 5.20000000E+02 1.00000000E+03 PLC WM BI14 CD14 MTLOW H2O and q ru
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd MTLOW_imt H2O and q ru
ASSEMBLAGE: 4: x,y = 5.80000000E+02 1.00000000E+03 (2)PLC BI14 CD14 MTLOW ILM00 H2O q
assemblage: PLC_abh PLC_san BI14_annm CD14_hcrd MTLOW_imt ILM00_oilm1 H2O q
ASSEMBLAGE: 5: x,y = 4.15000000E+02 1.00000000E+03 EP11 WM BI14 CHL14 H2O q ru ab
assemblage: EP11_ep WM_mu BI14_annm CHL14_daph H2O q ru ab
ASSEMBLAGE: 6: x,y = 4.07500000E+02 1.00000000E+03 EP11 WM BI14 CHL14 H2O q sph ru ab
assemblage: EP11_ep WM_mu BI14_annm CHL14_daph H2O q sph ru ab
ASSEMBLAGE: 7: x,y = 4.22500000E+02 1.00000000E+03 PLC EP11 WM BI14 CHL14 H2O q ru ab
assemblage: PLC_abh EP11_ep WM_mu BI14_annm CHL14_daph H2O q ru ab
ASSEMBLAGE: 8: x,y = 4.23906250E+02 1.00000000E+03 PLC EP11 WM BI14 CHL14 MTLOW H2O q ru ab
assemblage: PLC_abh EP11_ep WM_mu BI14_annm CHL14_daph MTLOW_imt H2O q ru ab
ASSEMBLAGE: 9: x,y = 5.05000000E+02 1.00000000E+03 PLC WM BI14 CD14 MTLOW ILM00 H2O q ru ab
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd MTLOW_imt ILM00_oilm1 H2O q ru ab
ASSEMBLAGE: 10: x,y = 4.97500000E+02 1.00000000E+03 PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru ab
assemblage: PLC_abh WM_mu BI14_annm CHL14_ames MTLOW_imt ILM00_oilm1 H2O q ru ab
ASSEMBLAGE: 11: x,y = 4.99375000E+02 1.00000000E+03 PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru ab
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd CHL14_ames MTLOW_imt ILM00_oilm1 H2O q ru ab
ASSEMBLAGE: 12: x,y = 4.99023438E+02 1.00000000E+03 PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru
assemblage: PLC_abh WM_mu BI14_annm CHL14_ames MTLOW_imt ILM00_oilm1 H2O q ru
ASSEMBLAGE: 13: x,y = 4.99082031E+02 1.00000000E+03 PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd CHL14_ames MTLOW_imt ILM00_oilm1 H2O q ru
ASSEMBLAGE: 14: x,y = 5.08750000E+02 1.00000000E+03 PLC WM BI14 CD14 MTLOW H2O and q ru ab
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd MTLOW_imt H2O and q ru ab
ASSEMBLAGE: 15: x,y = 5.06875000E+02 1.00000000E+03 PLC WM BI14 CD14 MTLOW ILM00 H2O and q ru ab
assemblage: PLC_abh WM_mu BI14_annm CD14_hcrd MTLOW_imt ILM00_oilm1 H2O and q ru ab
ASSEMBLAGE: 16: x,y = 5.65000000E+02 1.00000000E+03 (2)PLC BI14 CD14 MTLOW H2O and q ru
assemblage: PLC_abh PLC_san BI14_annm CD14_hcrd MTLOW_imt H2O and q ru
ASSEMBLAGE: 17: x,y = 5.63066406E+02 1.00000000E+03 (2)PLC WM BI14 CD14 MTLOW H2O and q ru
assemblage: PLC_abh PLC_san WM_mu BI14_annm CD14_hcrd MTLOW_imt H2O and q ru
ASSEMBLAGE: 18: x,y = 5.70625000E+02 1.00000000E+03 (2)PLC BI14 CD14 MTLOW ILM00 H2O and q
assemblage: PLC_abh PLC_san BI14_annm CD14_hcrd MTLOW_imt ILM00_oilm1 H2O and q
ASSEMBLAGE: 19: x,y = 5.69687500E+02 1.00000000E+03 (2)PLC BI14 CD14 MTLOW ILM00 H2O and q ru
assemblage: PLC_abh PLC_san BI14_annm CD14_hcrd MTLOW_imt ILM00_oilm1 H2O and q ru
REACTION: 1 1 = 6
position: 4.03633E+02 1.00000E+03 4.03691E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: EP11 WM BI14 CHL14 H2O q sph ab = EP11 WM BI14 CHL14 H2O q sph ru ab
REACTION: 2 6 = 5
position: 4.14004E+02 1.00000E+03 4.14062E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: EP11 WM BI14 CHL14 H2O q sph ru ab = EP11 WM BI14 CHL14 H2O q ru ab
REACTION: 3 5 = 7
position: 4.17871E+02 1.00000E+03 4.17930E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: EP11 WM BI14 CHL14 H2O q ru ab = PLC EP11 WM BI14 CHL14 H2O q ru ab
REACTION: 4 7 = 8
position: 4.23438E+02 1.00000E+03 4.23496E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC EP11 WM BI14 CHL14 H2O q ru ab = PLC EP11 WM BI14 CHL14 MTLOW H2O q ru ab
REACTION: 5 8 = 2
position: 4.24023E+02 1.00000E+03 4.24082E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC EP11 WM BI14 CHL14 MTLOW H2O q ru ab = PLC WM BI14 CHL14 MTLOW H2O q ru ab
REACTION: 6 2 = 10
position: 4.93633E+02 1.00000E+03 4.93691E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CHL14 MTLOW H2O q ru ab = PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru ab
REACTION: 7 10 = 12
position: 4.98906E+02 1.00000E+03 4.98965E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru ab = PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru
REACTION: 8 12 = 13
position: 4.99023E+02 1.00000E+03 4.99082E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CHL14 MTLOW ILM00 H2O q ru = PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru
REACTION: 9 13 = 11
position: 4.99082E+02 1.00000E+03 4.99141E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru = PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru ab
REACTION: 10 11 = 9
position: 4.99609E+02 1.00000E+03 4.99668E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 CHL14 MTLOW ILM00 H2O q ru ab = PLC WM BI14 CD14 MTLOW ILM00 H2O q ru ab
REACTION: 11 9 = 15
position: 5.05469E+02 1.00000E+03 5.05527E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 MTLOW ILM00 H2O q ru ab = PLC WM BI14 CD14 MTLOW ILM00 H2O and q ru ab
REACTION: 12 15 = 14
position: 5.07637E+02 1.00000E+03 5.07695E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 MTLOW ILM00 H2O and q ru ab = PLC WM BI14 CD14 MTLOW H2O and q ru ab
REACTION: 13 14 = 3
position: 5.10742E+02 1.00000E+03 5.10801E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 MTLOW H2O and q ru ab = PLC WM BI14 CD14 MTLOW H2O and q ru
REACTION: 14 3 = 17
position: 5.63008E+02 1.00000E+03 5.63066E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: PLC WM BI14 CD14 MTLOW H2O and q ru = (2)PLC WM BI14 CD14 MTLOW H2O and q ru
REACTION: 15 17 = 16
position: 5.63066E+02 1.00000E+03 5.63125E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: (2)PLC WM BI14 CD14 MTLOW H2O and q ru = (2)PLC BI14 CD14 MTLOW H2O and q ru
REACTION: 16 16 = 19
position: 5.69453E+02 1.00000E+03 5.69512E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: (2)PLC BI14 CD14 MTLOW H2O and q ru = (2)PLC BI14 CD14 MTLOW ILM00 H2O and q ru
REACTION: 17 19 = 18
position: 5.69746E+02 1.00000E+03 5.69805E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
REACTION: (2)PLC BI14 CD14 MTLOW ILM00 H2O and q ru = (2)PLC BI14 CD14 MTLOW ILM00 H2O and q
REACTION: 18 18 = 4
position: 5.72207E+02 1.00000E+03 5.72266E+02 1.00000E+03
LABELED WITH ASSEMBLAGES
