| /dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/abinit/ |
| H A D | symrelrot.F90 | 45 subroutine symrelrot(nsym,rprimd,rprimd_new,symrel,tolsym) argument
63 real(dp),intent(in) :: tolsym local
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| H A D | symatm.F90 | 78 subroutine symatm(indsym,natom,nsym,symrec,tnons,tolsym,typat,xred) argument
97 real(dp), intent(in) :: tolsym local
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| H A D | holocell.F90 | 52 subroutine holocell(cell_base,enforce,foundc,iholohedry,tolsym) argument
70 real(dp),intent(in) :: tolsym local
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| H A D | symanal.F90 | 56 …utine symanal(bravais,chkprim,genafm,msym,nsym,ptgroupma,rprimd,spgroup,symafm,symrel,tnons,tolsym) argument
75 real(dp),intent(in) :: tolsym local
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| H A D | interfaces_41_geometry.F90 | 192 real(dp),intent(in) :: tolsym local
285 real(dp),intent(in) :: tolsym local
607 real(dp),intent(in) :: tolsym local
623 real(dp), intent(in) :: tolsym local
655 real(dp),intent(in) :: tolsym local
716 real(dp),intent(in) :: tolsym local
756 real(dp),intent(in) :: tolsym local
807 real(dp) :: tolsym local
867 real(dp),intent(in) :: tolsym local
972 real(dp),intent(in) :: tolsym local
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| H A D | symbrav.F90 | 50 subroutine symbrav(bravais,msym,nsym,ptgroup,rprimd,symrel,tolsym,axis) argument
69 real(dp),intent(in) :: tolsym local
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| H A D | symspgr.F90 | 70 subroutine symspgr(bravais,nsym,spgroup,symrel,tnons,tolsym) argument
91 real(dp),intent(in) :: tolsym local
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| H A D | symfind.F90 | 64 & ptsymrel,spinat,symafm,symrel,tnons,tolsym,typat,use_inversion,xred,& argument
83 real(dp),intent(in) :: tolsym local
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| H A D | symlatt.F90 | 75 subroutine symlatt(bravais,msym,nptsym,ptsymrel,rprimd,tolsym) argument
96 real(dp),intent(in) :: tolsym local
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| H A D | ab7_symmetry.c | 36 Ab7Error ab7_symmetry_set_tolerance(Ab7Symmetry *sym, double tolsym) in ab7_symmetry_set_tolerance()
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| H A D | m_ab7_symmetry.F90 | 37 real(dp) :: tolsym component
353 subroutine symmetry_set_tolerance(id, tolsym, errno) argument
363 real(dp), intent(in) :: tolsym local
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| /dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/big/dcdft/ |
| H A D | pbe_abinit_hgh.py | 31 tolsym = 1.e-12 variable
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| H A D | pbe_abinit_paw.py | 32 tolsym = 1.e-12 variable
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| /dports/science/py-abipy/abipy-0.9.0/abipy/dfpt/ |
| H A D | converters.py | 174 primitive_matrix="auto", symprec=1e-5, tolsym=None, supercell=None, argument
487 tolsym=None, manager=None, workdir=None, pseudos=None, verbose=False): argument
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| /dports/science/py-abipy/abipy-0.9.0/abipy/core/ |
| H A D | symmetries.py | 107 def indsym_from_symrel(symrel, tnons, structure, tolsym=1e-8): argument
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| H A D | structure.py | 1046 def abiget_spginfo(self, tolsym=None, pre=None): argument
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| /dports/science/py-abipy/abipy-0.9.0/abipy/abio/ |
| H A D | inputs.py | 1744 def abiget_spacegroup(self, tolsym=None, retdict=False, workdir=None, manager=None, verbose=0): argument
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