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 |
180 |
NO PROCEDURE |
_RL ligand_stab |
./pkg/dic/dic_readparms.F |
131 |
DIC_READPARMS |
ligand_stab = 1. _d 8 |
./pkg/dic/dic_readparms.F |
262 |
DIC_READPARMS |
CALL WRITE_0D_RL( ligand_stab, INDEX_NONE,'ligand_stab =', |
./pkg/dic/dic_readparms.F |
92 |
DIC_READPARMS |
& KScav, ligand_stab, ligand_tot, |
./pkg/dic/dic_set_control.F |
118 |
DIC_SET_CONTROL |
ligand_stab = ligand_stab * ( 1. _d 0 + xx_dic(4)*1. _d 6 ) |
./pkg/dic/dic_set_control.F |
122 |
DIC_SET_CONTROL |
print *,'COST ligand_stab = ', ligand_stab |
./pkg/dic/fe_chem.F |
82 |
FE_CHEM |
lig=(-ligand_stab*tmpfe + |
./pkg/dic/fe_chem.F |
83 |
FE_CHEM |
& ligand_stab*ligand_tot-1. _d 0 |
./pkg/dic/fe_chem.F |
84 |
FE_CHEM |
& +((ligand_stab*tmpfe |
./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 |
87 |
FE_CHEM |
& )/(2. _d 0*ligand_stab) |