/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | plot_io.f90 | 23 character (len=*) :: filplot local 37 if (filplot == ' ') call errore ('plot_io', 'filename missing', 1) 43 WRITE( stdout, '(5x,"Writing data to file ",a)') TRIM(filplot) 44 open (unit = iunplot, file = filplot, form = 'formatted', & 47 WRITE( stdout, '(5x,"Reading data from file ",a)') TRIM(filplot) 48 open (unit = iunplot, file = filplot, form = 'formatted', & 52 100 call errore ('plot_io', 'opening file '//TRIM(filplot), abs (ios) ) 102 character (len=*) :: filplot local 109 if (filplot == ' ') call errore ('read_io_h', 'filename missing', 1) 112 WRITE( stdout, '(5x,"Reading header from file ",a)') TRIM(filplot) [all …]
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | ppacf.f90 | 145 CHARACTER(LEN=256) :: filplot variable 205 filplot = 'tmp.pp' 858 filplot = TRIM(prefix)//'.chg' 863 filplot = TRIM(prefix)//'.chg1' 880 filplot = TRIM(prefix)//'.tks' 897 filplot = TRIM(prefix)//'.exlda' 902 filplot = TRIM(prefix)//'.eclda' 907 filplot = TRIM(prefix)//'.tclda' 913 filplot = TRIM(prefix)//'.exgc' 963 filplot = TRIM(prefix)//'.ecgc' [all …]
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H A D | postproc.f90 | 58 CHARACTER(len=256) :: filplot local 67 filplot, lsign local 74 filplot = 'tmp.pp' 119 CALL mp_bcast( filplot, ionode_id, intra_image_comm ) 191 plot_files(1) = filplot 199 WRITE(plot_files(iplot),'(A, I0.3)') TRIM(filplot), iplot 211 TRIM(filplot), "_K", ikpt, "_B", ibnd, TRIM(spin_desc(ispin)) 222 CALL punch_plot (filplot, plot_num, sample_bias, z, dz, & 225 CALL punch_plot (filplot, plot_num, sample_bias, z, dz, &
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H A D | write_io_header.f90 | 20 CHARACTER (len=*) :: filplot local 27 IF (filplot == ' ') CALL errore ('write_io_h', 'filename missing', 1) 29 OPEN (UNIT = iunplot, FILE = filplot, FORM = 'formatted', & 31 101 CALL errore ('write_io_header', 'opening file '//trim(filplot), abs (ios) )
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H A D | pawplot.f90 | 199 CHARACTER(len=256) :: outdir, filplot variable 208 filplot, e1, e2, e3, x0, nx, ny, nz, plot local 224 filplot = 'pawcharge.dat' 323 CALL plot_1d_ (nx, x0, e1, rhog, rhoplot, flag, filplot ) 367 CHARACTER(len=*), INTENT(in) :: filplot local 405 IF (filplot /= ' ') THEN 407 OPEN (unit=ounit, file=filplot, form='formatted', status='unknown') 409 trim(filplot)
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H A D | plan_avg.f90 | 38 CHARACTER(len=256) :: filplot, outdir variable 43 NAMELIST / inputpp / outdir, prefix, filplot local 60 filplot = 'tmp.pp' 80 CALL mp_bcast( filplot, ionode_id, world_comm ) 96 OPEN (UNIT = iunplot, FILE = filplot, FORM = 'formatted', & 98 100 CALL errore ('plan_avg', 'opening file '//trim(filplot), abs (ios) )
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H A D | punch_plot.f90 | 43 CHARACTER(len=*), INTENT(IN) :: filplot local 58 IF (filplot == ' ') RETURN 300 CALL plot_io (filplot, title, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, & 306 CALL plot_io (filplot, title, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | martyna_tuckerman.f90 | 220 CHARACTER (LEN=25) :: filplot local 287 filplot = 'wg_corr_r' 290 CALL write_wg_on_file( filplot, plot ) 292 filplot = 'wg_corr_g' 301 CALL write_wg_on_file( filplot, plot ) 303 filplot = 'wg_corr_diff' 312 CALL write_wg_on_file( filplot, plot ) 328 SUBROUTINE write_wg_on_file( filplot, plot ) argument 339 CHARACTER (LEN=25), INTENT(IN) :: filplot local 349 CALL plot_io( filplot, title, dfftp%nr1x, dfftp%nr2x, dfftp%nr3x, &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GUI/PWgui/examples/pp/ |
H A D | psi2.pp.inp | 4 filplot = 'pwscf.plot' ,
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/WorkFct_example/reference/ |
H A D | Al.bulkref.pp.in | 4 filplot = 'Albulkrefpot'
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H A D | Al100.pp.in | 4 filplot = 'Al100.pot'
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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/ESPRESSO/1_qe/scf/ |
H A D | Zn2O2.pp2.in | 4 filplot = 'vtot'
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H A D | Zn2O2.pp1.in | 4 filplot = 'velec'
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/dports/science/berkeleygw/BGW-2.0.0/Visual/benzene/ |
H A D | pp_in | 4 filplot = 'rho'
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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/Zn2O2/ESPRESSO/1_qe/scf_U/ |
H A D | Zn2O2.pp1.in | 4 filplot = 'velec'
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H A D | Zn2O2.pp2.in | 4 filplot = 'vtot'
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/dipole_example/reference/ |
H A D | water.pp.in | 4 filplot = 'water.vpot'
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H A D | ni+co.pp.in | 4 filplot = 'ni+co.vpot'
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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/benzene/ESPRESSO/1-scf/ |
H A D | in_pp1 | 4 filplot = 'rho'
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H A D | in_pp2 | 4 filplot = 'vtot'
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H A D | in_pp3 | 4 filplot = 'velec'
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/dports/science/berkeleygw/BGW-2.0.0/testsuite/CUBE/ |
H A D | pp_in | 4 filplot = 'homo'
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/WorkFct_example/ |
H A D | run_example | 152 filplot = 'Al100.pot' 223 filplot = 'Albulkrefpot'
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/examples/dipole_example/ |
H A D | run_example | 160 filplot = 'ni+co.vpot' 315 filplot = 'water.vpot'
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/Doc/ |
H A D | INPUT_PP.def | 30 variable @ref filplot in @b &INPUTPP) and later read in step 2. 62 var filplot -type CHARACTER { 64 file "filplot" contains the quantity selected by plot_num 71 Selects what to save in filplot: 376 default { filepp(1)=filplot }
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