Searched defs:cellpar (Results 1 – 8 of 8) sorted by relevance
| /dports/science/xtb/xtb-6.4.1/src/ |
| H A D | pbc_tools.f90 | 40 pure subroutine cell_to_dlat(cellpar,lattice) argument
42 real(wp),intent(in) :: cellpar(6) !< cell parameters local
66 pure subroutine cell_to_rlat(cellpar,rec_lat) argument
68 real(wp),intent(in) :: cellpar(6) !< cell parameters local
92 pure subroutine dlat_to_cell(lattice,cellpar) argument
95 real(wp),intent(out) :: cellpar(6) !< cell parameters local
181 real(wp),intent(in) :: cellpar(6) !< cell parameters local
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| /dports/science/py-ase/ase-3.22.0/ase/geometry/ |
| H A D | cell.py | 50 def cellpar_to_cell(cellpar, ab_normal=(0, 0, 1), a_direction=None): argument
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| /dports/science/py-ase/ase-3.22.0/ase/spacegroup/ |
| H A D | xtal.py | 24 cell=None, cellpar=None, argument
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| /dports/science/py-ase/ase-3.22.0/ase/ |
| H A D | cell.py | 35 def cellpar(self, radians=False): member in Cell
89 def fromcellpar(cls, cellpar, ab_normal=(0, 0, 1), a_direction=None): argument
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| /dports/science/xtb/xtb-6.4.1/TESTSUITE/ |
| H A D | pbc_tools.f90 | 7 real(wp),parameter :: cellpar(6) = & local
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| /dports/science/xtb/xtb-6.4.1/src/io/reader/ |
| H A D | turbomole.f90 | 59 real(wp) :: cellpar(6), lattice(3, 3) local
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| /dports/science/xtb/xtb-6.4.1/src/type/ |
| H A D | molecule.f90 | 103 real(wp) :: cellpar(6) = 0.0_wp component
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| /dports/science/py-ase/ase-3.22.0/ase/lattice/ |
| H A D | __init__.py | 109 def cellpar(self) -> np.ndarray: member in BravaisLattice
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