crawfordgroup / ccreorganization Goto Github PK

Due to recent changes in the psi4's source code, this plugin fails to build with psi4's latest version.
The problem appears due to removal of libparallel from psi4. Also, I get a weird error in reorder_qt functions used in hamiltonian.cc and perturbation.cc.

/home/akumar1/newriver/ugacc/ugacc/hamiltonian.cc:36:34: error: invalid cast from type ‘const psi::Dimension’ to type ‘int*’ 
 reorder_qt((int *) ref->doccpi(), (int *) ref->soccpi(), (int *) ref->frzcpi(), (int *) ref->frzvpi(),..)

If I do something like:

Dimension Doccpi = ref->doccpi() ;
int * p_doccpi = (int *) Doccpi;
reorder_qt( p_doccpi, .....)

the error is fixed but I don't know why the previous case gives errors. After we resolve this, I am going to create a pull request.