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Searched refs:remove_rigid_rot (Results 1 – 25 of 43) sorted by relevance

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/dports/science/plumed/plumed2-2.7.2/patches/qespresso-5.0.2.diff/PW/src/
H A Dforces.f9040 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, &
245 IF ( remove_rigid_rot ) &
H A Dforces.f90.preplumed40 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, &
245 IF ( remove_rigid_rot ) &
/dports/science/plumed/plumed2-2.7.2/patches/qespresso-6.2.diff/PW/src/
H A Dforces.f9045 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, &
256 IF ( remove_rigid_rot ) &
H A Dforces.f90.preplumed45 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, &
256 IF ( remove_rigid_rot ) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dforces.f9043 USE control_flags, ONLY : gamma_only, remove_rigid_rot, textfor, &
253 IF ( remove_rigid_rot ) &
H A Dpw_init_qexsd_input.f9044 … 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, …
H A Dinput.f90162 remove_rigid_rot_ => remove_rigid_rot, &
290 refold_pos, remove_rigid_rot, upscale, &
1290 remove_rigid_rot_ = remove_rigid_rot
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dcontrol_flags.f90247 remove_rigid_rot = .FALSE. ! if .TRUE. the total torque acting on the atoms variable
H A Dqexsd_input.f90330 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,&
H A Dinput_parameters.f901155 LOGICAL :: remove_rigid_rot = .false. variable
1190 wfc_extrapolation, nraise, remove_rigid_rot, & local
H A Dqes_init_module.f901876 …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
H A Dread_namelists.f90525 remove_rigid_rot = .FALSE.
1108 CALL mp_bcast( remove_rigid_rot, ionode_id, intra_image_comm )
H A Dqes_types_module.f901149 LOGICAL :: remove_rigid_rot component
/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/
H A Dinput.f90176 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
H A Dcpr.f9016 tfor, remove_rigid_rot, taurdr, llondon,&
428 IF ( remove_rigid_rot ) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/GUI/PWgui/modules/pw/
H A Dpw.tcl1298 var remove_rigid_rot {
/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is
/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/
H A Duse_only_3.inc284 remove_rigid_rot ! if .TRUE. the total torque acting on the atoms is

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