/dports/science/plumed/plumed2-2.7.2/patches/qespresso-5.0.2.diff/PW/src/ |
H A D | forces.f90 | 40 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, & 245 IF ( remove_rigid_rot ) &
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H A D | forces.f90.preplumed | 40 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, & 245 IF ( remove_rigid_rot ) &
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/dports/science/plumed/plumed2-2.7.2/patches/qespresso-6.2.diff/PW/src/ |
H A D | forces.f90 | 45 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, & 256 IF ( remove_rigid_rot ) &
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H A D | forces.f90.preplumed | 45 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, & 256 IF ( remove_rigid_rot ) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | forces.f90 | 43 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, & 253 IF ( remove_rigid_rot ) &
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H A D | pw_init_qexsd_input.f90 | 44 … ion_dynamics, upscale, remove_rigid_rot, refold_pos, pot_extrapolation, & 461 …CALL qexsd_init_ion_control(obj%ion_control, ion_dynamics, upscale, remove_rigid_rot, refold_pos, …
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H A D | input.f90 | 162 remove_rigid_rot_ => remove_rigid_rot, & 290 refold_pos, remove_rigid_rot, upscale, & 1290 remove_rigid_rot_ = remove_rigid_rot
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | control_flags.f90 | 247 remove_rigid_rot = .FALSE. ! if .TRUE. the total torque acting on the atoms variable
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H A D | qexsd_input.f90 | 330 SUBROUTINE qexsd_init_ion_control(obj,ion_dynamics,upscale,remove_rigid_rot,& argument 346 LOGICAL,OPTIONAL,INTENT(IN) :: remove_rigid_rot,refold_pos local 367 … (obj,TAGNAME,ion_dynamics=TRIM(ion_dynamics), UPSCALE=upscale, REMOVE_RIGID_ROT=remove_rigid_rot,&
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H A D | input_parameters.f90 | 1155 LOGICAL :: remove_rigid_rot = .false. variable 1190 wfc_extrapolation, nraise, remove_rigid_rot, & local
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H A D | qes_init_module.f90 | 1876 …SUBROUTINE qes_init_ion_control(obj, tagname, ion_dynamics, upscale, remove_rigid_rot, refold_pos,& argument 1885 LOGICAL,OPTIONAL,INTENT(IN) :: remove_rigid_rot local 1901 IF ( PRESENT(remove_rigid_rot)) THEN 1903 obj%remove_rigid_rot = remove_rigid_rot
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H A D | read_namelists.f90 | 525 remove_rigid_rot = .FALSE. 1108 CALL mp_bcast( remove_rigid_rot, ionode_id, intra_image_comm )
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H A D | qes_types_module.f90 | 1149 LOGICAL :: remove_rigid_rot component
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/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
H A D | input.f90 | 176 USE control_flags, ONLY : remove_rigid_rot_ => remove_rigid_rot 213 tefield, epol, efield, tefield2, epol2, efield2, remove_rigid_rot, & 237 remove_rigid_rot_ = remove_rigid_rot
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H A D | cpr.f90 | 16 tfor, remove_rigid_rot, taurdr, llondon,& 428 IF ( remove_rigid_rot ) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GUI/PWgui/modules/pw/ |
H A D | pw.tcl | 1298 var remove_rigid_rot {
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/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | use_only_3.inc | 284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
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