| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | data_structure.f90 | 10 SUBROUTINE data_structure( gamma_only ) argument
38 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | io_rho_xml.f90 | 129 SUBROUTINE read_scf ( rho, nspin, gamma_only ) argument
148 LOGICAL, OPTIONAL,INTENT(IN) :: gamma_only local
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| H A D | force_lc.f90 | 11 igtongl, g, rho, nl, gstart, gamma_only, vloc, forcelc ) argument
41 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | force_ew.f90 | 11 g, gg, ngm, gstart, gamma_only, gcutm, strf, forceion ) argument
34 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | stres_ewa.f90 | 11 omega, g, gg, ngm, gstart, gamma_only, & argument
35 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | ewald.f90 | 35 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | symme.f90 | 491 SUBROUTINE sym_rho_init( gamma_only ) argument
497 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | martyna_tuckerman.f90 | 34 LOGICAL :: gamma_only = .FALSE. variable
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/FFTXlib/ |
| H A D | fft_test.f90 | 132 LOGICAL :: gamma_only = .false. variable
750 SUBROUTINE ggen ( dfftp, gamma_only, at, bg, gcutm, ngm_g, ngm, & argument
768 LOGICAL, INTENT(IN) :: gamma_only local
998 SUBROUTINE ggens( dffts, gamma_only, at, g, gg, mill, gcutms, ngms, & argument
1013 LOGICAL, INTENT(IN) :: gamma_only local
1394 subroutine prepare_psi_tg(ibnd, nbnd, ngms, psi, tg_psi, dffts, gamma_only) argument
1403 logical, intent(in) :: gamma_only local
1450 subroutine prepare_psi( ibnd, nbnd, ngms, psi, psic, dffts, gamma_only) argument
1459 logical, intent(in) :: gamma_only local
1492 logical, intent(in) :: gamma_only local
[all …]
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | recvec_subs.f90 | 30 SUBROUTINE ggen ( dfftp, gamma_only, at, bg, gcutm, ngm_g, ngm, & argument
45 LOGICAL, INTENT(IN) :: gamma_only local
271 SUBROUTINE ggens( dffts, gamma_only, at, g, gg, mill, gcutms, ngms, & argument
282 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | io_base.f90 | 26 ik, xk, ispin, nspin, wfc, ngw, gamma_only, nbnd, igl, ngwl, & argument
52 LOGICAL, INTENT(IN) :: gamma_only local
209 ik, xk, ispin, npol, wfc, ngw, gamma_only, nbnd, igl, ngwl, & argument
239 LOGICAL, INTENT(OUT) :: gamma_only local
406 b1, b2, b3, gamma_only, mill, ig_l2g, rho, ecutrho ) argument
435 LOGICAL, INTENT(IN) :: gamma_only local
604 ig_l2g, nspin, rho, gamma_only, ier_ ) argument
633 LOGICAL, OPTIONAL, INTENT(IN) :: gamma_only local
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| H A D | control_flags.f90 | 107 LOGICAL :: gamma_only = .TRUE. variable
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| H A D | hdf5_qe.f90 | 75 subroutine h5_write_gvecs(hdf5desc, filename, nr1, nr2, nr3, ngm, gamma_only, mill) argument
80 logical, intent(in) :: gamma_only local
1014 SUBROUTINE write_attributes(hdf5desc, ngw, gamma_only, igwx, & argument
1019 LOGICAL, INTENT(IN) :: gamma_only local
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| H A D | qexsd_copy.f90 | 269 SUBROUTINE qexsd_copy_basis_set ( basis_set, gamma_only, ecutwfc, ecutrho, & argument
278 LOGICAL, INTENT(out) :: gamma_only local
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| H A D | qes_init_module.f90 | 1548 …SUBROUTINE qes_init_basis(obj, tagname, ecutwfc, gamma_only, ecutrho, fft_grid, fft_smooth, fft_bo… argument
1554 LOGICAL,OPTIONAL,INTENT(IN) :: gamma_only local
1601 gamma_only, ecutrho, fft_smooth, fft_box, ngms) argument
1607 LOGICAL,OPTIONAL,INTENT(IN) :: gamma_only local
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| H A D | qes_types_module.f90 | 608 LOGICAL :: gamma_only component
1122 LOGICAL :: gamma_only component
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| H A D | qexsd_init.f90 | 331 SUBROUTINE qexsd_init_basis_set(obj, gamma_only, ecutwfc, ecutrho, & argument
339 LOGICAL, INTENT(IN) :: gamma_only local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
| H A D | add_shift_lc.f90 | 11 igtongl, nrxx, g, rho, nl, nspin, gstart, gamma_only, vloc, shift_lc) argument
35 LOGICAL :: gamma_only local
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| H A D | do_shift_ew.f90 | 11 omega, g, gg, ngm, gcutm, gstart, gamma_only, shift_ion) argument
34 LOGICAL :: gamma_only local
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| /dports/science/py-ase/ase-3.22.0/ase/io/ |
| H A D | castep.py | 907 gamma_only=True, frequency_factor=None, argument
929 gamma_only=True, frequency_factor=None, argument
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_wannier90.F | 174 … LOGICAL :: do_kpoints, gamma_only, my_kpgrp, mygrp, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_wannier90.F | 174 … LOGICAL :: do_kpoints, gamma_only, my_kpgrp, mygrp, & local
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| /dports/science/octopus/octopus-10.5/src/ions/ |
| H A D | kpoints.F90 | 404 logical, intent(in) :: gamma_only local
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/abinit/ |
| H A D | abiobjects.py | 802 def gamma_only(cls): member in KSampling
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/vasp/ |
| H A D | outputs.py | 5467 def __init__(self, filename, gamma_only=False): argument
|