| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/examples/example03/ |
| H A D | run_example | 98 wfc_extrapolation='second-order'
141 wfc_extrapolation='second-order'
190 wfc_extrapolation='second-order'
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/pw_md/ |
| H A D | md-wfc_extrap2.in | 15 wfc_extrapolation='second_order'
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| H A D | md-wfc_extrap1.in | 15 wfc_extrapolation='first_order'
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| /dports/science/plumed/plumed2-2.7.2/test/qespresso/PW/test1/ |
| H A D | bo.in | 33 wfc_extrapolation='second-order'
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| /dports/science/plumed/plumed2-2.7.2/test/qespresso/PW/test2/ |
| H A D | bo.in | 33 wfc_extrapolation='second-order'
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/reference/user_examples/quantum_espresso/relax_Ge_T_vs_kpoints/runs/relax/kgrid_222/ |
| H A D | relax.in | 39 wfc_extrapolation = 'second_order'
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/reference/user_examples/quantum_espresso/relax_Ge_T_vs_kpoints/runs/relax/kgrid_666/ |
| H A D | relax.in | 39 wfc_extrapolation = 'second_order'
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/reference/user_examples/quantum_espresso/relax_Ge_T_vs_kpoints/runs/relax/kgrid_111/ |
| H A D | relax.in | 39 wfc_extrapolation = 'second_order'
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/tests/reference/user_examples/quantum_espresso/relax_Ge_T_vs_kpoints/runs/relax/kgrid_444/ |
| H A D | relax.in | 39 wfc_extrapolation = 'second_order'
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | qexsd_input.f90 | 331 refold_pos,pot_extrapolation,wfc_extrapolation,& argument
340 CHARACTER(LEN=*),INTENT(IN) :: ion_dynamics,pot_extrapolation,wfc_extrapolation,& local
364 wfc_extrapolation=wfc_extrapolation,ion_temperature=ion_temperature,&
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| H A D | input_parameters.f90 | 1151 wfc_extrapolation = 'default' variable
1190 wfc_extrapolation, nraise, remove_rigid_rot, & local
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| H A D | read_namelists.f90 | 529 wfc_extrapolation = 'none'
1111 CALL mp_bcast( wfc_extrapolation, ionode_id, intra_image_comm )
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| H A D | qes_init_module.f90 | 1957 SUBROUTINE qes_init_md(obj, tagname, pot_extrapolation, wfc_extrapolation, ion_temperature,& argument
1965 CHARACTER(LEN=*),INTENT(IN) :: wfc_extrapolation local
1978 obj%wfc_extrapolation = wfc_extrapolation
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| H A D | qes_types_module.f90 | 700 CHARACTER(len=256) :: wfc_extrapolation component
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| H A D | qes_write_module.f90 | 1474 CALL xml_addCharacters(xp, TRIM(obj%wfc_extrapolation))
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| H A D | qes_bcast_module.f90 | 1397 CALL mp_bcast(obj%wfc_extrapolation, ionode_id, comm)
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| H A D | qes_read_module.f90 | 6271 CALL extractDataContent(tmp_node, obj%wfc_extrapolation, IOSTAT = iostat_ )
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/examples/example02/ |
| H A D | run_example | 204 wfc_extrapolation = "second_order",
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
| H A D | pw_init_qexsd_input.f90 | 45 … wfc_extrapolation, ion_temperature, tempw, tolp, delta_t, nraise, ip_dt => dt, &
462 … pot_extrapolation, wfc_extrapolation, ion_temperature, tempw, tolp, delta_t, nraise, &
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| H A D | input.f90 | 291 pot_extrapolation, wfc_extrapolation, &
1042 SELECT CASE( trim( wfc_extrapolation ) )
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| /dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
| H A D | pwscf_input.py | 1916 wfc_extrapolation = 'second_order',
2486 wfc_extrapolation = 'second_order', argument
2563 wfc_extrapolation = wfc_extrapolation
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GUI/PWgui/modules/pw/ |
| H A D | pw.tcl | 1284 var wfc_extrapolation {
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| H A D | pw-help.tcl | 4062 help wfc_extrapolation -helpfmt helpdoc -helptext {
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Doc/ |
| H A D | plumed_quick_ref.tex | 301 wfc_extrapolation='second-order'
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/Doc/ |
| H A D | INPUT_PW.def | 2403 var wfc_extrapolation -type CHARACTER {
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