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Searched refs:i_cons (Results 1 – 24 of 24) sorted by relevance

/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dadd_bfield.f9034 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
H A Dreport_mag.f9021 USE noncollin_module, ONLY: noncolin, mcons, i_cons
78 IF (i_cons==1) THEN
80 ELSEIF (i_cons==2) THEN
H A Dinput.f90188 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 …]
H A Dsetup.f9083 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 ) &
H A Delectrons.f90390 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 ) &
H A Dpw_restart_new.f90108 USE noncollin_module, ONLY : angle1, angle2, i_cons, mcons, bfield, magtot_nc, &
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmmm/
H A Dtask_qmmm_gradient.F578 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmmm/
H A Dtask_qmmm_gradient.F578 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mm/
H A Dmm_geom.F597 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)))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/mm/
H A Dmm_geom.F597 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)))
/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/
H A Dhp_readin.f90140 USE noncollin_module, ONLY : i_cons, noncolin
209 IF (i_cons /= 0) CALL errore('hp_readin',&
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dnoncol.f9025 i_cons = 0 ! indicator for constrained local quantities variable
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dpostproc.f9034 USE noncollin_module, ONLY : i_cons
150 IF ( ( two_fermi_energies .or. i_cons /= 0) .and. &
H A Dbands.f9023 USE noncollin_module, ONLY : noncolin, i_cons
114 IF (two_fermi_energies.or.i_cons /= 0) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PWCOND/src/
H A Ddo_cond.f9033 USE noncollin_module, ONLY : noncolin, i_cons
346 IF (two_fermi_energies.or.i_cons /= 0) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/test-suite/not_epw_comp/
H A Dphq_readin.f9053 USE noncollin_module, ONLY : i_cons, noncolin
759 IF (i_cons /= 0) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/head/
H A Dphq_readin.f9053 USE noncollin_module, ONLY : i_cons, noncolin
859 IF (i_cons /= 0) &
/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/
H A Dphq_readin.f9052 USE noncollin_module, ONLY : i_cons, noncolin
846 IF (i_cons /= 0) &
/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/lysH-qmmm/
H A DlysH-qmmm.out511 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/lysH-qmmm/
H A DlysH-qmmm.out511 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 …]
/dports/lang/perl5.34/perl-5.34.0/pod/
H A Dperlperf.pod332 words with only consonants: $i_cons
518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
/dports/lang/perl5-devel/perl5-5.35.4-102-ge43d289c7c/pod/
H A Dperlperf.pod332 words with only consonants: $i_cons
518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
/dports/lang/perl5.30/perl-5.30.3/pod/
H A Dperlperf.pod332 words with only consonants: $i_cons
518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,
/dports/lang/perl5.32/perl-5.32.1/pod/
H A Dperlperf.pod332 words with only consonants: $i_cons
518 50243 0.00644 0.89000 56: my $i_cons = matches($i_word, $word,