ICODE-ADC/lammps
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More updates for oxidation, more doc pages

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This commit is contained in:
jtclemm
2024-03-31 21:40:34 -06:00
parent 7ea0dc3996
commit 08db64c27f
14 changed files with 188 additions and 79 deletions
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src/RHEO/fix_rheo.cpp
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@ -48,12 +48,14 @@ FixRHEO::FixRHEO(LAMMPS *lmp, int narg, char **arg) :
viscosity_fix_defined = 0;
pressure_fix_defined = 0;
thermal_fix_defined = 0;
oxidation_fix_defined = 0;
thermal_flag = 0;
rhosum_flag = 0;
shift_flag = 0;
interface_flag = 0;
surface_flag = 0;
oxidation_flag = 0;
int i;
int n = atom->ntypes;
@ -252,6 +254,7 @@ void FixRHEO::setup(int /*vflag*/)
thermal_fix_defined = 0;
viscosity_fix_defined = 0;
pressure_fix_defined = 0;
oxidation_fix_defined = 0;
// Check fixes cover all atoms (may still fail if atoms are created)
// FixRHEOPressure currently requires group all