Searched defs:check_orth (Results 1 – 5 of 5) sorted by relevance
| /dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
| H A D | lr_dav_debug.f90 | 16 subroutine check_orth() subroutine
26 complex(kind=dp),external :: lr_dot
27 integer :: ia, ib
28 real(dp) :: inner_err,temp
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| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/mp/test/ |
| H A D | test_dfump2_native.py | 43 def check_orth(obj, mol, mo_coeff, thresh=1.0e-12): function
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| H A D | test_dfmp2_native.py | 47 def check_orth(obj, mol, mo_coeff, thresh=1.0e-12): function
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | basis.cpp | 3888 void check_orth(const arma::mat & C, const arma::mat & S, bool verbose, double thr) { in check_orth() function
3922 void check_orth(const arma::cx_mat & C, const arma::mat & S, bool verbose, double thr) { in check_orth() function
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | basis.cpp | 3888 void check_orth(const arma::mat & C, const arma::mat & S, bool verbose, double thr) { in check_orth() function
3922 void check_orth(const arma::cx_mat & C, const arma::mat & S, bool verbose, double thr) { in check_orth() function
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