| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/Pneb/ |
| H A D | Pneb.F | 838 integer npack1 local
910 integer npack1 local
985 integer npack1 local
1063 integer npack1 local
1130 integer npack1 local
1195 integer npack1 local
1683 integer mb,nbb,npack1 local
1796 integer mb,nbb,npack1 local
1929 integer mb,nbb,npack1 local
2306 integer npack1 local
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/ |
| H A D | ELF.F | 22 subroutine generate_ELF(npack1,ne,psi,dn,elf) argument
25 integer npack1,ne local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/ |
| H A D | ELF.F | 22 subroutine generate_ELF(npack1,ne,psi,dn,elf) argument
25 integer npack1,ne local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/analysis/ |
| H A D | orb.F | 25 integer ne(2),ispin,npack1,nemax local
26 common / ORB_BLOCK / sum,a,b0,lorb,ne,ispin,npack1,nemax local
130 integer ne(2),ispin,npack1,nemax local
131 common / ORB_BLOCK / sum,a,b0,lorb,ne,ispin,npack1,nemax local
172 integer ne(2),ispin,npack1,nemax local
173 common / ORB_BLOCK / sum,a,b0,lorb,ne,ispin,npack1,nemax local
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| H A D | orb_pop_aorb.F | 11 subroutine Orb_pop_aorb(flag,ispin,ne,npack1,nemax,c2, argument
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| H A D | orb_pop_kawai.F | 11 subroutine Orb_pop_kawai(flag,ispin,ne,npack1,nemax,c2, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/psi/ |
| H A D | cpsi_lmbda.F | 9 subroutine cpsi_lmbda(ms,nb,npack1, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/psi/ |
| H A D | cpsi_lmbda.F | 9 subroutine cpsi_lmbda(ms,nb,npack1, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/aorbs/ |
| H A D | aorbs.F | 22 integer npack1,nion local
350 integer n,lm,ia,npack1 local
434 integer nfft3d,npack1 local
498 > npack1,aorbs, argument
509 integer npack1 local
623 integer ngp(3),version,nfft3d,npack1 local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/cpsd/ |
| H A D | chi_lmbda.f | 7 subroutine chi_lmbda(ispin,npack1, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/analysis/ |
| H A D | orb_pop_aorb.F | 11 subroutine Orb_pop_aorb(flag,ispin,ne,npack1,nemax,c2, argument
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| H A D | orb_pop_kawai.F | 11 subroutine Orb_pop_kawai(flag,ispin,ne,npack1,nemax,c2, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/cpsd/ |
| H A D | chi_lmbda.f | 7 subroutine chi_lmbda(ispin,npack1, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/electron/ |
| H A D | psi_lmbda.f | 4 subroutine psi_lmbda(ispin,ne,nemax,npack1, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/electron/ |
| H A D | psi_lmbda.f | 4 subroutine psi_lmbda(ispin,ne,nemax,npack1, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
| H A D | psi_lmbda_sic.f | 5 subroutine psi_lmbda_sic(ispin,ne,nemaxq,npack1, argument
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| H A D | psi_lmbda.f | 11 subroutine psi_lmbda(ispin,ne,nemaxq,npack1, argument
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| H A D | psi_lmbda3.f | 5 subroutine psi_lmbda3(ispin,ne,nemax,npack1, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | psi_lmbda3.f | 5 subroutine psi_lmbda3(ispin,ne,nemax,npack1, argument
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| H A D | cpmd_qmmm_step.F | 23 integer npack1 local
34 > ispin,ne,npack1,nfft3d,nemax, local
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| H A D | psi_lmbda_sic.f | 5 subroutine psi_lmbda_sic(ispin,ne,nemaxq,npack1, argument
11 integer ispin,ne(2),nemaxq,npack1 local
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| H A D | psi_lmbda.f | 11 subroutine psi_lmbda(ispin,ne,nemaxq,npack1, argument
17 integer ispin,ne(2),nemaxq,npack1 local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/Pneb/ |
| H A D | Pneb.F | 1143 integer npack1 local
1335 integer npack1 local
1527 integer npack1 local
1610 integer npack1 local
1708 integer npack1 local
1778 integer npack1 local
2265 integer mb,nbb,npack1 local
2381 integer mb,nbb,npack1 local
2902 integer npack1 local
3007 integer npack1 local
[all …]
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
| H A D | lcao_generate_smatrix.F | 14 integer i,j,nbasis,npack1 local
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| H A D | lcao_generate_kematrix.F | 14 integer i,j,nbasis,npack1 local
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