| /dports/science/nwchem-data/nwchem-7.0.2-release/src/qmd/ |
| H A D | qmd_tdks_enmo.F | 166 if (.not.bas_destroy(basis))
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| H A D | qmd_coup.F | 129 if(.not.bas_destroy(basis(1)))
131 if(.not.bas_destroy(basis(2)))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cphf/ |
| H A D | cphf_poliz.F | 185 if (.not. bas_destroy(basis)) call errquit('cphf_poliz: bas?',0,
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmd/ |
| H A D | qmd_coup.F | 129 if(.not.bas_destroy(basis(1)))
131 if(.not.bas_destroy(basis(2)))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/basis/ |
| H A D | basis.doc | 14 logical function bas_destroy(basis)
53 logical function bas_destroy(basis)
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| H A D | basis.F | 230 logical function bas_destroy(basisin) function
245 bas_destroy = .true.
247 bas_destroy = bas_destroy.and.bas_do_destroy(ecpid)
250 bas_destroy = bas_destroy.and.bas_do_destroy(soid)
252 bas_destroy = bas_destroy .and. bas_do_destroy(basisin)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/basis/ |
| H A D | basis.doc | 14 logical function bas_destroy(basis)
53 logical function bas_destroy(basis)
|
| H A D | basis.F | 230 logical function bas_destroy(basisin)
245 bas_destroy = .true.
247 bas_destroy = bas_destroy.and.bas_do_destroy(ecpid)
250 bas_destroy = bas_destroy.and.bas_do_destroy(soid)
252 bas_destroy = bas_destroy .and. bas_do_destroy(basisin)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/dk/ |
| H A D | bas_create_uncont.F | 322 if (.not. bas_destroy(basis_out))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/dk/ |
| H A D | bas_create_uncont.F | 322 if (.not. bas_destroy(basis_out))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/develop/ |
| H A D | raktest.F | 548 if(.not.bas_destroy(basis)) call errquit
550 if(.not.bas_destroy(sp_basis)) call errquit
1317 status = bas_destroy(basis)
1738 if (.not.bas_destroy(bases(nbas))) call errquit
1802 if (.not.bas_destroy(bases(nbas))) call errquit
2660 if (.not.bas_destroy(basisseg)) call errquit
2662 if (.not.bas_destroy(basisns)) call errquit
2911 if (.not.bas_destroy(basis)) call errquit
2965 if (.not.bas_destroy(basis)) stop ' bas_dest error 1'
3221 ignore = bas_destroy(basao)
[all …]
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| H A D | rak30.F | 118 raktask_intdd_3c = bas_destroy(basis)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/develop/ |
| H A D | raktest.F | 548 if(.not.bas_destroy(basis)) call errquit
550 if(.not.bas_destroy(sp_basis)) call errquit
1317 status = bas_destroy(basis)
1738 if (.not.bas_destroy(bases(nbas))) call errquit
1802 if (.not.bas_destroy(bases(nbas))) call errquit
2660 if (.not.bas_destroy(basisseg)) call errquit
2662 if (.not.bas_destroy(basisns)) call errquit
2911 if (.not.bas_destroy(basis)) call errquit
2965 if (.not.bas_destroy(basis)) stop ' bas_dest error 1'
3221 ignore = bas_destroy(basao)
[all …]
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| H A D | rak30.F | 118 raktask_intdd_3c = bas_destroy(basis)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
| H A D | scf_get_info.F | 505 if (.not. bas_destroy(basis)) call errquit
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
| H A D | hess_init.F | 80 if (.not. bas_destroy(cd_basis))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
| H A D | hess_init.F | 87 if (.not. bas_destroy(cd_basis))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
| H A D | scf_get_info.F | 507 if (.not. bas_destroy(basis)) call errquit
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/input_dft/ |
| H A D | dft_rdinput.F | 1038 if (.not. bas_destroy(CD_bas_han))
1074 if (.not. bas_destroy(XC_bas_han))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/input_dft/ |
| H A D | dft_rdinput.F | 1083 if (.not. bas_destroy(CD_bas_han))
1119 if (.not. bas_destroy(XC_bas_han))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/moints/ |
| H A D | direct_mp2.F | 524 if (.not.bas_destroy(basis))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/moints/ |
| H A D | direct_mp2.F | 524 if (.not.bas_destroy(basis))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/dplot/ |
| H A D | dplot_dos.F | 172 if(.not.bas_destroy(basis)) call errquit
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dplot/ |
| H A D | dplot_dos.F | 172 if(.not.bas_destroy(basis)) call errquit
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/ |
| H A D | wfn1.F | 614 if (.not.bas_destroy(wfn1_inst%basis))
|