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Searched refs:exst (Results 1 – 25 of 170) sorted by relevance

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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/lrtddft/
H A Dtest_excited_state.py51 H2 = get_H2(exst)
55 exst.split(n)
100 exst.get_forces()
103 exst.get_forces(H2)
121 H2 = get_H2(exst)
138 exst.write(fname)
161 del(exst)
176 exst.get_forces()
179 del(exst)
202 H2 = get_H2(exst)
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dopenfilq.f9071 LOGICAL :: exst, exst_mem local
115 IF (.NOT.exst) THEN
130 IF (ext_recover.AND..NOT.exst) &
138 IF (ext_recover.AND..NOT.exst) &
147 IF (ext_recover.AND..NOT.exst) &
212 IF (ext_recover.AND..NOT.exst) &
221 IF (ext_recover.AND..NOT.exst) &
228 IF (ext_recover.AND..NOT.exst) &
283 IF (.NOT.exst) &
286 IF (exst) THEN
[all …]
H A Dcheck_initial_status.f90113 LOGICAL :: exst local
298 INQUIRE (FILE = TRIM(filename), EXIST = exst)
300 IF ((.NOT. exst .OR. .NOT. recover).AND.ldisp) THEN
339 CALL mp_bcast( exst, ionode_id, intra_image_comm )
341 IF (.NOT. exst) THEN
597 LOGICAL :: exst local
628 INQUIRE (FILE = TRIM(file_input), EXIST = exst)
629 IF (exst) ios = f_copy(file_input, file_output)
642 INQUIRE (FILE = TRIM(file_input), EXIST = exst)
655 INQUIRE (FILE = TRIM(file_input), EXIST = exst)
[all …]
H A Ddavcio_drho.f9036 LOGICAL :: exst local
40 IF ( ionode ) INQUIRE (UNIT = iunit, OPENED = exst)
41 CALL mp_bcast(exst,ionode_id, intra_image_comm)
42 IF (.NOT.exst) RETURN
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/head/
H A Dopenfilq.f9050 LOGICAL :: exst, exst_mem local
72 IF (.NOT.exst.AND..NOT.exst_mem) THEN
95 IF (ext_recover.AND..NOT.exst) &
109 IF (ext_recover.AND..NOT.exst) &
121 IF (ext_recover.AND..NOT.exst) &
167 CALL diropn (iucom, 'com', lrcom, exst)
168 IF (ext_recover.AND..NOT.exst) &
177 IF (ext_recover.AND..NOT.exst) &
190 IF (ext_recover.AND..NOT.exst) &
200 CALL diropn (iuchf, 'cwf', lrchf, exst)
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/
H A Dlr_test_restart.f9024 LOGICAL :: exst local
54 INQUIRE (file = tempfile, exist = exst)
55 IF (.not. exst) THEN
65 INQUIRE (file = tempfile, exist = exst)
66 IF (.not. exst) THEN
85 IF (exst) THEN
96 IF (exst) THEN
121 INQUIRE (file = tempfile, exist = exst)
123 IF (.not. exst) THEN
141 INQUIRE (file = tempfile, exist = exst)
[all …]
H A Dlr_read_d0psi.f9033 LOGICAL :: exst local
52 CALL diropn ( iund0psi, 'd0psi.'//trim(int_to_char(LR_polarization)), nwordd0psi, exst)
54 IF (.not.exst .and. wfc_dir /= 'undefined') THEN
60 CALL diropn ( iund0psi, 'd0psi.'//trim(int_to_char(LR_polarization)), nwordd0psi, exst)
62 IF (.not.exst) CALL errore('lr_read_d0psi', &
71 CALL diropn ( iund0psi, 'd0psi.'//trim(int_to_char(ip)), nwordd0psi, exst)
73 IF (.not.exst .and. wfc_dir /= 'undefined') THEN
79 CALL diropn ( iund0psi, 'd0psi.'//trim(int_to_char(LR_polarization)), nwordd0psi, exst)
81 IF (.not.exst) CALL errore('lr_read_d0psi', &
98 CALL diropn ( iund0psi, 'd0psi2.'//trim(int_to_char(LR_polarization)), nwordd0psi, exst)
H A Dlr_read_wf.f9056 LOGICAL :: exst local
84 CALL open_buffer ( iunwfc, 'wfc', nwordwfc, io_level, exst )
141 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst)
143 IF (.NOT.exst .AND. wfc_dir == 'undefined') &
146 IF (.NOT.exst .AND. wfc_dir /= 'undefined') THEN
151 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst)
152 IF (.NOT.exst) CALL errore('lr_read_wfc', TRIM( prefix )//'.wfc'//' not found',1)
355 CALL diropn ( iunwfc, 'wfc', 2*nwordwfc, exst)
357 IF (.NOT.exst .AND. wfc_dir == 'undefined') &
360 IF (.NOT.exst .AND. wfc_dir /= 'undefined') THEN
[all …]
H A Dlr_eels_main.f90371 LOGICAL :: exst local
381 INQUIRE(FILE=TRIM(filename), exist=exst)
382 IF (exst.AND.iu>1) THEN
410 INQUIRE(FILE=TRIM(filename), exist=exst)
411 IF (exst.AND.iu>1) THEN
430 INQUIRE(FILE=TRIM(filename), exist=exst)
431 IF (exst.AND.iu>1) THEN
457 INQUIRE(FILE=TRIM(filename), exist=exst)
458 IF (exst.AND.iu>1) THEN
H A Dlr_init_nfo.f9057 LOGICAL :: exst, exst_mem local
104 CALL open_buffer ( iundvpsi, 'dvpsi.', nwordd0psi, io_level, exst_mem, exst)
105 CALL open_buffer ( iudwf, 'dwf', nwordd0psi, io_level, exst_mem, exst)
106 CALL open_buffer ( iu1dwf, 'mwf', nwordd0psi, io_level, exst_mem, exst)
110 CALL open_buffer (iunwfc, 'wfc', nwordwfc, io_level, exst_mem, exst)
112 IF (.NOT.exst .AND. .NOT.exst_mem) THEN
H A Dlr_restart.f9049 LOGICAL :: exst local
89 INQUIRE (file = tempfile, exist = exst)
91 IF (.not.exst) THEN
190 …LL diropn ( iunrestart, 'restart_lanczos.'//trim(int_to_char(LR_polarization)), nwordrestart, exst)
203 …start, 'restart_lanczos-rho_tot.'//trim(int_to_char(LR_polarization)), 2*dfftp%nnr*nspin_mag, exst)
207 …start, 'restart_lanczos-rho_tot.'//trim(int_to_char(LR_polarization)), 2*dfftp%nnr*nspin_mag, exst)
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/Gamma/
H A Dphcg.f9025 LOGICAL :: exst variable
117 LOGICAL :: exst local
133 CALL mp_bcast(exst,ionode_id,world_comm)
134 IF ( .not. exst) GOTO 1
239 INQUIRE (FILE = fildyn, EXIST = exst)
240 IF (exst) THEN
278 LOGICAL :: exst local
290 IF (.not. exst) GOTO 1
354 IF (.not. exst) GOTO 10
610 LOGICAL :: exst local
[all …]
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple/
H A Dopenfile_simple.f9022 LOGICAL :: exst local
30 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
32 IF ( .NOT. exst ) THEN
50 IF ( .NOT. exst ) THEN
54 CALL diropn( iunsat, 'satwfc', nwordatwfc, exst )
55 IF ( .NOT. exst ) THEN
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/pw4gww/
H A Dopenfil_pw4gww.f9032 LOGICAL :: exst local
40 CALL diropn( iunwfc, 'wfc', 2*nwordwfc, exst )
42 IF ( .NOT. exst ) THEN
58 IF ( .NOT. exst ) THEN
62 CALL diropn( iunsat, 'satwfc', nwordatwfc, exst )
63 IF ( .NOT. exst ) THEN
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dopenfil.f9034 LOGICAL :: exst local
49 CALL open_buffer( iunhub, 'hub', nwordwfcU, io_level, exst )
52 CALL open_buffer( iunsat, 'satwfc', nwordatwfc, io_level, exst )
57 CALL open_buffer( iunefield , 'ewfc' , nwordwfc, io_level, exst )
58 CALL open_buffer( iunefieldm, 'ewfcm', nwordwfc, io_level, exst )
59 CALL open_buffer( iunefieldp, 'ewfcp', nwordwfc, io_level, exst )
H A Dsave_in_cbands.f9022 LOGICAL :: exst local
25 CALL seqopn (iunres, 'restart_k', 'formatted', exst)
49 LOGICAL :: exst local
51 CALL seqopn (iunres, 'restart_k', 'formatted', exst)
52 IF ( exst ) THEN
H A Dstop_run.f9027 LOGICAL :: exst, opnd, lflag local
34 CALL seqopn( iuntmp, 'restart', 'UNFORMATTED', exst )
38 CALL seqopn( iuntmp, 'update', 'FORMATTED', exst )
40 CALL seqopn( iuntmp, 'para', 'FORMATTED', exst )
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_openfil_q.f9029 LOGICAL :: exst, exst_mem local
45 CALL open_buffer (iuwfc, 'wfc', lrwfc, io_level, exst_mem, exst, tmp_dir)
46 IF (.NOT.exst .AND. .NOT.exst_mem) &
58 CALL open_buffer (iudvwfc, 'dvwfc', lrdvwfc, io_level, exst_mem, exst, tmp_dir)
64 CALL open_buffer (iudwfc, 'dwfc', lrdwfc, io_level, exst_mem, exst, tmp_dir)
70 CALL open_buffer (iuatswfc, 'satwfc', nwordwfcU, io_level, exst_mem, exst, tmp_dir)
/dports/science/quantum-espresso/q-e-qe-6.7.0/EPW/src/
H A Dio_selfen.f9052 LOGICAL :: exst local
154 LOGICAL :: exst local
181 INQUIRE(FILE = name1, EXIST = exst)
183 IF (exst) THEN ! read the file
225 CALL mp_bcast(exst, ionode_id, world_comm)
227 IF (exst) THEN
282 LOGICAL :: exst local
389 LOGICAL :: exst local
423 INQUIRE(FILE = name1, EXIST = exst)
425 IF (exst) THEN ! read the file
[all …]
/dports/cad/feappv/feappv-4.1i/program/
H A Dpdelfl.f27 logical exst,isopen local
49 inquire(file=fname,exist=exst)
50 if(exst) then
63 inquire(file=fname,exist=exst,opened=isopen)
64 if(exst) then
H A Dpinstall.f33 logical pcomp,cksep,exst, flag, tinput local
42 inquire(file='feap.ins',exist=exst)
43 if(exst) then
48 inquire(file='./.feap.ins',exist=exst)
49 if(exst) then
54 if(exst) then
H A Dpeigsv.f31 logical exst,palloc local
51 inquire(file = lct , exist = exst )
52 if(exst) then
65 exst = palloc( 76,'EVAL',mq , 2 )
66 exst = palloc( 77,'EVEC',mq*neq, 2 )
H A Dopnfil.f2 subroutine opnfil(mac,name,iopl,ios,exst) argument
26 logical exst,cinput local
32 1 inquire(file=name,exist=exst)
33 if(exst) then
/dports/math/libpgmath/flang-d07daf3/test/f90_correct/src/
H A Dna25.f9030 logical :: nm, opn, exst variable
50 INQUIRE (5,EXIST=exst,NAMED=nm, OPENED=opn,IOSTAT=ios,NEXTREC=nxtrec, &
52 results(1)=exst
61 INQUIRE (6,EXIST=exst,NAMED=nm, OPENED=opn,IOSTAT=ios,NEXTREC=nxtrec, &
63 results(7) = exst
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dio_files.f90154 SUBROUTINE check_tempdir ( tmp_dir, exst, pfs ) argument
167 LOGICAL, INTENT(out) :: exst, pfs local
189 exst = ( ios == -1 )
267 LOGICAL :: exst local
282 INQUIRE(FILE = filename, EXIST = exst)
284 IF (exst) THEN
423 logical :: exst local
456 inquire (file = tempfile, exist = exst)
494 logical :: exst local
537 inquire (file = tempfile, exist = exst)

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