| /dports/biology/molden/molden5.8/ |
| H A D | plvrml.f | 388 write(iun,
393 write(iun,
445 write(iun,
449 write(iun,
1894 write(iun,*)
1896 write(iun,*)
1898 write(iun,*)
1900 write(iun,*)
1902 write(iun,*)
1904 write(iun,*)
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| H A D | runjob.f | 135 iun = 50
195 call runsyb(iun)
432 iun2 = iun
444 close(iun)
572 write(iun,*) ' '
573 write(iun,*) ' '
574 write(iun,*) ' '
617 write(iun,*)
619 write(iun,*)
787 write(iun,*)
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| H A D | plden.f | 188 write(iun,*) 'children ['
199 write(iun,*) ' }'
200 write(iun,*) ' }'
218 write(iun,*) ' }'
219 write(iun,*) ' }'
220 write(iun,*) ' ]'
221 write(iun,*) '}'
227 write(iun,*) ' ]'
228 write(iun,*) '}'
230 write(iun,*) ' ]'
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| H A D | basprt.f | 1 subroutine basprt(iun,gcompl,docrys) argument
54 if (.not.gcompl.and..not.docrys) write(iun,1040)
58 write(iun,'(a)') ' '
60 write(iun,1000)
68 write(iun,'(i3,1x,i3)') nat(jan(i)),
75 write(iun,'(i3,a)') jan(i),' 0'
107 write(iun,'(a,i1,a,i2,a,f3.1,a)')
111 write(iun,1020) name, shelln(i)
126 & write(iun,1030) exx(mm), c2(mm)*facp
143 write(iun,'(a)') '99 0'
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| H A D | rdinfo.f | 332 iun = 21
346 read(iun,'(a)',end=100) lstr
350 read(iun,'(a)') lstr
371 read(iun,'(a)') lstr
375 read(iun,'(i5)') no
383 read(iun,'(a)') lstr
388 read(iun,end=100) katoms
390 read(iun,end=100) rdum
401 close(iun)
445 close(iun)
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| H A D | rdcpmd.f | 771 write(iun,'(a/)')
773 write(iun,'(A)')'&CPMD'
777 write(iun,'(A)')' 10'
779 write(iun,'(A)')' 280.'
782 write(iun,'(A)')' 6.'
784 write(iun,'(A/)')'&END'
787 write(iun,'(A)')' 0'
792 write(iun,'(A)')' 0 '
794 write(iun,'(A)')' 60'
796 write(iun,'(A)')'&DFT'
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| H A D | wrzmat.f | 3649 write(iun,'(a)') ' '
3699 write(iun,'(a)')
3764 write(iun,'(a)') 'C1'
3776 write(iun,'(a)') ' '
3778 write(iun,'(a)') ' '
3879 write(iun,'(a)') 'end'
3889 write(iun,'(a)') 'end'
4386 iun = 51
4449 call wrogl(iun)
4455 close(iun)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/gww/ |
| H A D | compact_product.f90 | 208 close(iun)
250 read(iun) cr%nums
307 if(ionode) close(iun)
354 close(iun)
436 if(ionode) close(iun)
485 close(iun)
521 read(iun) crs%nums
547 close(iun)
983 close(iun)
1033 close(iun)
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| H A D | energies_gww.f90 | 53 INTEGER iun local
57 iun = find_free_unit()
65 write(iun) qp%max_i
66 write(iun) qp%nspin
97 close(iun)
120 INTEGER iun local
183 close(iun)
337 INTEGER :: ii,iun,is local
354 iun = find_free_unit()
364 close(iun)
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| H A D | gv_time.f90 | 65 INTEGER :: iun,i local
71 read(iun) gt%max_i
72 read(iun) gt%n
73 read(iun) gt%tau
90 close(iun)
110 INTEGER :: iun,i local
116 write(iun) gt%n
125 close(iun)
142 INTEGER :: iun,i local
148 read(iun) gt%n
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| H A D | contour.f90 | 89 INTEGER :: iun,is local
102 close(iun)
116 INTEGER :: iun,is local
121 read(iun) wp%max_i
139 close(iun)
158 INTEGER :: iun,is local
163 write(iun) we%n
172 close(iun)
188 INTEGER :: iun,is local
193 read(iun) we%n
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| H A D | expansion.f90 | 104 INTEGER :: iun local
108 write(iun) se%max_i
124 close(iun)
144 INTEGER :: iun local
148 read(iun) se%max_i
149 read(iun) se%i_min
150 read(iun) se%i_max
152 read(iun) se%nspin
551 INTEGER :: iun local
597 close(iun)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/bse/ |
| H A D | print_spectrum.f90 | 60 iun = find_free_unit()
63 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2x.dat', status='unknown', form='formatted')
65 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2y.dat', status='unknown', form='formatted')
67 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2z.dat', status='unknown', form='formatted')
71 write(iun,*) '# Energy(eV) Eps2 Eps2(Nogaussbroad)'
73 write(iun,*) omega_g(i),broad_abs(i,ipol),aspectrum(i,ipol)
76 close(iun)
82 iun = find_free_unit()
93 write(iun,*) '# Energy(eV) Eps1 Eps1(Nogaussbroad)'
95 write(iun,*) omega_g(i),broad_abs(i,ipol),aspectrum(i,ipol)
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| H A D | spectrum.f90 | 102 iun = find_free_unit()
105 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2x.dat', status='unknown', form='formatted')
107 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2y.dat', status='unknown', form='formatted')
109 … open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.eps2z.dat', status='unknown', form='formatted')
113 write(iun,*) omega_g(i),broad_abs(i), absorption (i)
116 close(iun)
122 iun = find_free_unit()
123 …open(unit=iun, file=trim(tmp_dir)//trim(prefix)//'.excdos.dat', status='unknown', form='formatted')
125 write(iun,*) omega_g(i),excdos(i)
128 close(iun)
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| H A D | qpe_exc.f90 | 29 integer :: ib, iun, idum local
36 iun = find_free_unit()
38 open(iun,file=trim(tmp_dir)//trim(prefix)//'-bands.dat', status='old', form='formatted')
40 read(iun,*) idum
41 read(iun,*) idum
44 read(iun,*) idum,dumm1,dumm2,dumm3,dumm4
48 read(iun,*) idum, edft,rdum,egw,rdum
53 close(iun)
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| /dports/biology/molden/molden5.8/ambfor/ |
| H A D | wrtout.f | 30 write(iun,'(a,3(f9.3,1x))')
35 write(iun,'(a,6(f9.3,1x))')
38 write(iun,*) '[AMBFOR]'
76 write(iun,
85 if (iun.eq.iun3.or.(iun.eq.iun4.and.ireswr.eq.0)) then
87 write(iun,'(a)') '[RESIDUES]'
97 if (iun.eq.iun4) ireswr = 1
104 subroutine wrtbid(iun,emin,coo) argument
113 write(iun) iatoms,emin
116 write(iun) (coo(j,i),j=1,3)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple/ |
| H A D | khamiltonian.f90 | 86 write(iun) ntot_e
188 write(iun) nat
189 write(iun) ntyp
190 write(iun) nhm
191 write(iun) nspin
192 write(iun) nkb
193 write(iun) npol
310 write(iun) alat
313 write(iun) nelec
314 write(iun) omega
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| /dports/math/libxsmm/libxsmm-1.16.3/src/ |
| H A D | generator_packed_gemmnn.h | 137 iun = LIBXSMM_MAX(LIBXSMM_MIN(iun,maxregblocking),1); in compact_gemmnn_()
145 while ( iun+jun+iun*jun > maxreg ) { in compact_gemmnn_()
146 if ( (iun >= jun) && (iun > 1) ) --iun; in compact_gemmnn_()
167 if ( iun > 1 ) a1 = 1; in compact_gemmnn_()
168 if ( iun > 2 ) a2 = 2; in compact_gemmnn_()
169 if ( iun > 3 ) a3 = 3; in compact_gemmnn_()
170 if ( iun > 4 ) a4 = 4; in compact_gemmnn_()
171 if ( iun > 5 ) a5 = 5; in compact_gemmnn_()
172 if ( iun > 6 ) a6 = 6; in compact_gemmnn_()
174 b0 = iun; in compact_gemmnn_()
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
| H A D | postahc.f90 | 89 INTEGER :: iun variable
292 CLOSE(iun)
304 CLOSE(iun)
445 CLOSE(iun)
462 CLOSE(iun)
589 INTEGER :: iun local
627 CLOSE(iun)
689 INTEGER :: iun local
750 CLOSE(iun)
759 CLOSE(iun)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple_ip/ |
| H A D | simple_ip_objects.f90 | 213 read(iun) sh%nat
214 read(iun) sh%ntyp
215 read(iun) sh%nhm
216 read(iun) sh%nspin
217 read(iun) sh%nkb
218 read(iun) sh%npol
257 read(iun) sh%alat
260 read(iun) sh%nelec
282 close(iun)
471 close(iun)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/PW/tools/ |
| H A D | ev.f90 | 255 INTEGER :: i, iun local
261 iun=8
272 iun=6
315 WRITE(iun,'(73("#"))')
321 WRITE(iun,'(73("#"))')
328 WRITE(iun,'(73("#"))')
343 WRITE(iun,'(74("#"))')
349 WRITE(iun,'(74("#"))')
356 WRITE(iun,'(74("#"))')
363 IF(filout/=' ') CLOSE(unit=iun)
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/upflib/ |
| H A D | write_upf_new.f90 | 20 INTEGER :: iun variable
57 iun = xml_openfile ( filename )
286 WRITE(iun,'(4x,a,f5.0,a)') &
288 WRITE(iun, '(4x,a,f5.0,a)') &
292 WRITE(iun, '(4x,a)') &
295 WRITE(iun, '(4x,a)') &
298 WRITE(iun, '(4x,a)') &
307 WRITE(iun, '(4x,a,f9.4)') &
310 WRITE(iun, '(4x,a,f9.4)') &
586 WRITE(iun,*) upf%qfcoef
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/ |
| H A D | calculate_wing.f90 | 36 INTEGER iun, iungprod local
78 iun = find_free_unit()
80 read(iun) n_g
81 read(iun) omega_g
90 read(iun) freqs(1:n_g+1)
91 read(iun) ngm_k
111 if(ionode) close(iun)
178 write(iun) n_g
179 write(iun) omega_g
180 write(iun) numw_prod
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple_bse/ |
| H A D | simple_object.f90 | 114 INTEGER :: iun local
161 if(ionode) close(iun)
199 INTEGER :: iun,i,a local
216 close(iun)
306 INTEGER :: iun,ik,i local
315 read(iun) bd%nk
316 read(iun) bd%numv
317 read(iun) bd%numc
383 if(ionode) close(iun)
408 INTEGER :: iun local
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| /dports/science/afni/afni-AFNI_21.3.16/src/ |
| H A D | 3dRank.c | 60 int N_final_unq=0, iun=0, total_unq=0; in main() local
135 iun = 0; in main()
139 uniques[iun] = THD_unique_vals(dsets_in[ib], isb, in main()
140 &(N_uniques[iun]), cmask); in main()
141 total_unq += N_uniques[iun]; in main()
142 ++iun; in main()
149 for (iun=0; iun<nsubbriks; ++iun) { in main()
150 memcpy(all_uniques+off, uniques[iun], N_uniques[iun]*sizeof(int)); in main()
151 off += N_uniques[iun]; in main()
155 for (iun=0; iun<nsubbriks; ++iun) { in main()
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