/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | add_bfield.f90 | 34 USE noncollin_module, ONLY : bfield, lambda, i_cons, mcons, & 53 IF (nspin==1 .OR. i_cons==0) RETURN 62 IF (i_cons < 3) THEN 72 IF (i_cons==1) THEN 82 ELSEIF (i_cons==2) THEN 132 ELSEIF (i_cons==3 .OR. i_cons==6) THEN 143 IF (i_cons==3) THEN 164 IF (i_cons==6) THEN 215 ELSEIF (i_cons==4) THEN
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H A D | report_mag.f90 | 21 USE noncollin_module, ONLY: noncolin, mcons, i_cons 78 IF (i_cons==1) THEN 80 ELSEIF (i_cons==2) THEN
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H A D | input.f90 | 188 USE noncollin_module, ONLY : i_cons, mcons, bfield, & 727 i_cons = 0 738 i_cons = 1 767 i_cons = 2 783 i_cons = 3 797 i_cons = 6 821 IF ( i_cons /= 0 ) CALL errore( 'iosys', & 822 & 'non-zero external B_field and constrained magnetization?', i_cons) 827 i_cons = 4 839 IF ( (i_cons == 1 .OR. nspin == 2) .AND. (report /= 0) ) THEN [all …]
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H A D | setup.f90 | 83 USE noncollin_module, ONLY : noncolin, npol, i_cons, m_loc, & 251 IF ( i_cons == 1) then 256 IF ( i_cons /= 0 .AND. nspin==1 ) & 258 IF ( i_cons /= 0 .AND. i_cons /= 1 ) &
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H A D | electrons.f90 | 390 USE noncollin_module, ONLY : noncolin, magtot_nc, i_cons, bfield, & 1461 IF ( i_cons == 3 .OR. i_cons == 4 ) & 1463 IF ( i_cons /= 0 .AND. i_cons < 4 ) &
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H A D | pw_restart_new.f90 | 108 USE noncollin_module, ONLY : angle1, angle2, i_cons, mcons, bfield, magtot_nc, &
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/ |
H A D | task_qmmm_gradient.F | 578 integer i_cons,h_cons local 613 if (.not. ma_get_index(h_cons, i_cons)) 622 > mt_int,nact,int_mb(i_cons))) 629 & h_cons, i_cons) ) call errquit( 633 int_mb(i_cons+i-1) = i 650 > write(*,*) "i_cons",(int_mb(i_cons+i-1),i=1,nact) 697 ii0 = int_mb(i_cons+i-1) 734 jj0 = int_mb(i_cons+j-1) 795 integer i_cons,h_cons local 805 if (.not. ma_get_index(h_cons, i_cons)) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/ |
H A D | task_qmmm_gradient.F | 578 integer i_cons,h_cons 613 if (.not. ma_get_index(h_cons, i_cons)) 622 > mt_int,nact,int_mb(i_cons))) 629 & h_cons, i_cons) ) call errquit( 633 int_mb(i_cons+i-1) = i 650 > write(*,*) "i_cons",(int_mb(i_cons+i-1),i=1,nact) 697 ii0 = int_mb(i_cons+i-1) 734 jj0 = int_mb(i_cons+j-1) 795 integer i_cons,h_cons 805 if (.not. ma_get_index(h_cons, i_cons)) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mm/ |
H A D | mm_geom.F | 597 integer i_cons,h_cons local 613 if (.not. ma_get_index(h_cons, i_cons)) 623 > mt_int,nact0,int_mb(i_cons))) 630 & h_cons, i_cons) ) call errquit( 634 int_mb(i_cons+i-1) = i 674 ii0 = int_mb(i_cons+i-1) 709 jj0 = int_mb(i_cons+j-1) 760 integer i_cons,h_cons local 771 if (.not. ma_get_index(h_cons, i_cons)) 783 > mt_int,nact,int_mb(i_cons)))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/mm/ |
H A D | mm_geom.F | 597 integer i_cons,h_cons local 613 if (.not. ma_get_index(h_cons, i_cons)) 623 > mt_int,nact0,int_mb(i_cons))) 630 & h_cons, i_cons) ) call errquit( 634 int_mb(i_cons+i-1) = i 674 ii0 = int_mb(i_cons+i-1) 709 jj0 = int_mb(i_cons+j-1) 760 integer i_cons,h_cons local 771 if (.not. ma_get_index(h_cons, i_cons)) 783 > mt_int,nact,int_mb(i_cons)))
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_readin.f90 | 140 USE noncollin_module, ONLY : i_cons, noncolin 209 IF (i_cons /= 0) CALL errore('hp_readin',&
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | noncol.f90 | 25 i_cons = 0 ! indicator for constrained local quantities variable
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | postproc.f90 | 34 USE noncollin_module, ONLY : i_cons 150 IF ( ( two_fermi_energies .or. i_cons /= 0) .and. &
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H A D | bands.f90 | 23 USE noncollin_module, ONLY : noncolin, i_cons 114 IF (two_fermi_energies.or.i_cons /= 0) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/src/ |
H A D | do_cond.f90 | 33 USE noncollin_module, ONLY : noncolin, i_cons 346 IF (two_fermi_energies.or.i_cons /= 0) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/ |
H A D | phq_readin.f90 | 53 USE noncollin_module, ONLY : i_cons, noncolin 759 IF (i_cons /= 0) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/head/ |
H A D | phq_readin.f90 | 53 USE noncollin_module, ONLY : i_cons, noncolin 859 IF (i_cons /= 0) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | phq_readin.f90 | 52 USE noncollin_module, ONLY : i_cons, noncolin 846 IF (i_cons /= 0) &
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/lysH-qmmm/ |
H A D | lysH-qmmm.out | 511 i_cons 1 2 9037 i_cons 1 2 9793 i_cons 1 2 10265 i_cons 1 2 10735 i_cons 1 2 11476 i_cons 1 2 12220 i_cons 1 2 12963 i_cons 1 2 13702 i_cons 1 2 14449 i_cons 1 2 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/lysH-qmmm/ |
H A D | lysH-qmmm.out | 511 i_cons 1 2 9037 i_cons 1 2 9793 i_cons 1 2 10265 i_cons 1 2 10735 i_cons 1 2 11476 i_cons 1 2 12220 i_cons 1 2 12963 i_cons 1 2 13702 i_cons 1 2 14449 i_cons 1 2 [all …]
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/dports/lang/perl5.34/perl-5.34.0/pod/ |
H A D | perlperf.pod | 332 words with only consonants: $i_cons 518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
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/dports/lang/perl5-devel/perl5-5.35.4-102-ge43d289c7c/pod/ |
H A D | perlperf.pod | 332 words with only consonants: $i_cons 518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
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/dports/lang/perl5.30/perl-5.30.3/pod/ |
H A D | perlperf.pod | 332 words with only consonants: $i_cons 518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
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/dports/lang/perl5.32/perl-5.32.1/pod/ |
H A D | perlperf.pod | 332 words with only consonants: $i_cons 518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
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