| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/hessian/ |
| H A D | __init__.py | 21 from pyscf.hessian.rhf import Hessian as RHF unknown
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/df/grad/ |
| H A D | __init__.py | 3 RHF = rhf.Gradients variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/df/hessian/ |
| H A D | __init__.py | 3 RHF = rhf.Hessian variable
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/ |
| H A D | __init__.py | 35 from .rhf import Gradients as RHF unknown
|
| /dports/science/bagel/bagel-1.2.2/src/scf/hf/ |
| H A D | rhf.h | 71 RHF() { } in RHF() function
|
| H A D | rhf.cc | 36 BOOST_CLASS_EXPORT_IMPLEMENT(RHF) in BOOST_CLASS_EXPORT_IMPLEMENT() argument
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/scf/ |
| H A D | __init__.py | 132 def RHF(mol, *args): function
|
| H A D | hf_symm.py | 496 RHF = SymAdaptedRHF variable
|
| H A D | dhf.py | 703 RHF = RDHF variable
|
| H A D | hf.py | 1936 class RHF(SCF): class
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/scf/ |
| H A D | __init__.py | 39 def RHF(cell, *args, **kwargs): function
|
| H A D | hf.py | 829 class RHF(SCF, mol_hf.RHF): class
|
| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/atom/ |
| H A D | solvers.cpp | 234 void RHF(const std::vector<bf_t> & basis, int Z, rscf_t & sol, double convthr, bool direct, bool ve… in RHF() function
|
| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/atom/ |
| H A D | solvers.cpp | 263 void RHF(const std::vector<bf_t> & basis, int Z, rscf_t & sol, double convthr, bool direct, bool ve… in RHF() function
|
| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/x2c/ |
| H A D | x2c.py | 493 RHF = X2C_RHF variable
|
| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/contrib/ |
| H A D | co-optimize.cpp | 482 RHF, in compute_density_gaussian() enumerator
|
| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/contrib/ |
| H A D | co-optimize.cpp | 482 RHF, in compute_density_gaussian() enumerator
|