| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
| H A D | cgsdv5.F | 48 real*8 dipole(3),cdipole(3)
626 cdipole(1) = 0.0d0
627 cdipole(2) = 0.0d0
628 cdipole(3) = 0.0d0
631 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
677 > 3,cdipole)
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| H A D | cgoptimize1.F | 50 real*8 dipole(3),cdipole(3)
688 cdipole(1) = 0.0d0
689 cdipole(2) = 0.0d0
690 cdipole(3) = 0.0d0
693 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
719 > 3,cdipole)
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| H A D | cgmdv5.F | 51 real*8 dipole(3),cdipole(3)
1051 cdipole(1) = 0.0d0
1052 cdipole(2) = 0.0d0
1053 cdipole(3) = 0.0d0
1056 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
1082 > 3,cdipole)
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| H A D | cgmontecarlov1.F | 52 real*8 dipole(3),cdipole(3)
1028 cdipole(1) = 0.0d0
1029 cdipole(2) = 0.0d0
1030 cdipole(3) = 0.0d0
1033 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
1059 > 3,cdipole)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | cgsdv5.F | 48 real*8 dipole(3),cdipole(3)
659 cdipole(1) = 0.0d0
660 cdipole(2) = 0.0d0
661 cdipole(3) = 0.0d0
664 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
710 > 3,cdipole)
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| H A D | cgoptimize1.F | 50 real*8 dipole(3),cdipole(3) local
688 cdipole(1) = 0.0d0
689 cdipole(2) = 0.0d0
690 cdipole(3) = 0.0d0
693 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
719 > 3,cdipole)
|
| H A D | cgmdv5.F | 51 real*8 dipole(3),cdipole(3) local
1033 cdipole(1) = 0.0d0
1034 cdipole(2) = 0.0d0
1035 cdipole(3) = 0.0d0
1038 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
1064 > 3,cdipole)
|
| H A D | cgmontecarlov1.F | 52 real*8 dipole(3),cdipole(3) local
1028 cdipole(1) = 0.0d0
1029 cdipole(2) = 0.0d0
1030 cdipole(3) = 0.0d0
1033 if (control_periodic_dipole()) call psi1_crystal_dipole(cdipole)
1059 > 3,cdipole)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | ccsd_lambda.F | 319 double precision cdipole ! Dipole moment correlation
350 call get_block(d_d0,cdipole,1,0)
351 dipole_cor(axis)=dipole_scf(axis)+cdipole
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| H A D | tce_multipole_create.F | 48 double precision cdipole ! Dipole moment correlation
|
| H A D | ccsd_lr_alpha.F | 35 double precision omega,cdipole local
106 cdipole=0.0d0
107 call get_block(d_d0,cdipole,1,0)
108 dipole_cor(axis)=dipole_scf(axis)+cdipole
|
| H A D | tce_property.F | 116 double precision cdipole ! Dipole moment correlation local
|
| H A D | tce_energy.F | 332 double precision cdipole ! Dipole moment correlation
4153 call get_block(d_d0,cdipole,1,0)
4154 dipole_cor(axis)=dipole_scf(axis)+cdipole
5455 call get_block(d_d0,cdipole,1,0)
5456 dipole_cor(axis)=dipole_scf(axis)+cdipole
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | ccsd_lambda.F | 319 double precision cdipole ! Dipole moment correlation
350 call get_block(d_d0,cdipole,1,0)
351 dipole_cor(axis)=dipole_scf(axis)+cdipole
|
| H A D | tce_multipole_create.F | 48 double precision cdipole ! Dipole moment correlation
|
| H A D | ccsd_lr_alpha.F | 35 double precision omega,cdipole
106 cdipole=0.0d0
107 call get_block(d_d0,cdipole,1,0)
108 dipole_cor(axis)=dipole_scf(axis)+cdipole
|
| H A D | tce_property.F | 116 double precision cdipole ! Dipole moment correlation local
|
| H A D | tce_energy.F | 332 double precision cdipole ! Dipole moment correlation
4153 call get_block(d_d0,cdipole,1,0)
4154 dipole_cor(axis)=dipole_scf(axis)+cdipole
5455 call get_block(d_d0,cdipole,1,0)
5456 dipole_cor(axis)=dipole_scf(axis)+cdipole
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/gradients/ |
| H A D | tce_gradient.F | 233 double precision cdipole ! Dipole moment correlation
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/gradients/ |
| H A D | tce_gradient.F | 233 double precision cdipole ! Dipole moment correlation
|