| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
| H A D | inner_loop_ofpw.F | 493 call ke_ave(ispin,nne,psi1,evw,.false.,n1)
496 call ke_ave(ispin,nne,psi1,evw,.false.,n1)
498 call ke_ave(ispin,nne,psi1(1,2),ewgc,.false.,n1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
| H A D | inner_loop_ofpw.F | 493 call ke_ave(ispin,nne,psi1,evw,.false.,n1)
496 call ke_ave(ispin,nne,psi1,evw,.false.,n1)
498 call ke_ave(ispin,nne,psi1(1,2),ewgc,.false.,n1)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ke/ |
| H A D | ke.F | 217 subroutine ke_ave(ispin,ne,psi1,ave,fractional,occ) subroutine
596 call ke_ave(ispin,ne,residual(1,n),Ep,.false.,cm2)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/ke/ |
| H A D | ke.F | 217 subroutine ke_ave(ispin,ne,psi1,ave,fractional,occ) subroutine
595 call ke_ave(ispin,ne,residual(1,n),Ep,.false.,cm2)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | cpmd_qmmm_start.F | 335 call ke_ave(ispin,ne,dcpl_mb(psi2(1)),w)
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| H A D | inner_loop.F | 760 call ke_ave(ispin,ne,psi1,eke,fractional,occ1)
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| H A D | cprmdv1.F | 394 call ke_ave(ispin,neq,dcpl_mb(psi2(1)),w,
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| H A D | cpmdv5.F | 438 call ke_ave(ispin,neq,dcpl_mb(psi2(1)),w,
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| H A D | inner_loop.F.mathias | 626 call ke_ave(ispin,ne,psi1,eke,fractional,occ1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
| H A D | cpmd_qmmm_start.F | 335 call ke_ave(ispin,ne,dcpl_mb(psi2(1)),w)
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| H A D | inner_loop.F | 689 call ke_ave(ispin,ne,psi1,eke,fractional,occ1)
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| H A D | cprmdv1.F | 394 call ke_ave(ispin,neq,dcpl_mb(psi2(1)),w,
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| H A D | cpmdv5.F | 422 call ke_ave(ispin,neq,dcpl_mb(psi2(1)),w,
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| H A D | inner_loop.F.mathias | 626 call ke_ave(ispin,ne,psi1,eke,fractional,occ1)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cpsd/ |
| H A D | paw_inner_loop.F | 709 call ke_ave(ispin,ne,psi1,eke,.false.,occ)
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| H A D | paw_inner_loop_md.F | 756 call ke_ave(ispin,ne,psi1,ekin_pw,.false.,occ)
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| H A D | paw_cpmd.F | 560 call ke_ave(ispin,ne,dcpl_mb(psi2(1)),w,.false.,occ)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/cpsd/ |
| H A D | paw_inner_loop.F | 709 call ke_ave(ispin,ne,psi1,eke,.false.,occ)
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| H A D | paw_inner_loop_md.F | 756 call ke_ave(ispin,ne,psi1,ekin_pw,.false.,occ)
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| H A D | paw_cpmd.F | 560 call ke_ave(ispin,ne,dcpl_mb(psi2(1)),w,.false.,occ)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 287 call ke_ave(ispin,ne,psi_k,eke,.false.,occ)
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| H A D | paw_psi2.F | 1100 call ke_ave(ispin,ne,dcpl_mb(psi1(1)),ave,.false.,occ)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 287 call ke_ave(ispin,ne,psi_k,eke,.false.,occ)
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| H A D | paw_psi2.F | 1100 call ke_ave(ispin,ne,dcpl_mb(psi1(1)),ave,.false.,occ)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/ |
| H A D | psi.F | 2969 call ke_ave(ispin,neq,dcpl_mb(psi1(1)),ave,
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