| File |
Line number |
Procedure |
Code |
|
./pkg/dic/DIC_VARS.h |
130 |
NO PROCEDURE |
& O2crit, alpfe, KScav, ligand_stab, ligand_tot, KFE, |
|
./pkg/dic/DIC_VARS.h |
181 |
NO PROCEDURE |
_RL ligand_tot |
|
./pkg/dic/dic_readparms.F |
132 |
DIC_READPARMS |
ligand_tot = 1. _d -6 |
|
./pkg/dic/dic_readparms.F |
264 |
DIC_READPARMS |
CALL WRITE_0D_RL( ligand_tot, INDEX_NONE,'ligand_tot =', |
|
./pkg/dic/dic_readparms.F |
92 |
DIC_READPARMS |
& KScav, ligand_stab, ligand_tot, |
|
./pkg/dic/dic_set_control.F |
119 |
DIC_SET_CONTROL |
ligand_tot = ligand_tot * ( 1. _d 0 + xx_dic(5)*1. _d 6 ) |
|
./pkg/dic/dic_set_control.F |
123 |
DIC_SET_CONTROL |
print *,'COST ligand_tot = ', ligand_tot |
|
./pkg/dic/fe_chem.F |
83 |
FE_CHEM |
& ligand_stab*ligand_tot-1. _d 0 |
|
./pkg/dic/fe_chem.F |
85 |
FE_CHEM |
& -ligand_stab*ligand_tot+1. _d 0)**2 |
|
./pkg/dic/fe_chem.F |
86 |
FE_CHEM |
& +4. _d 0*ligand_stab*ligand_tot)**0.5 _d 0 |
|
./pkg/dic/fe_chem.F |
89 |
FE_CHEM |
FeL = ligand_tot-lig |