| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
| H A D | grad_dft.F | 177 if (.not. bas_destroy(cd_bas_han))
182 if (.not.bas_destroy(XC_bas_han))
195 if (.not.((bas_destroy(ao_bas_han)) .and. (geom_destroy(geom)) ) )
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
| H A D | grad_dft.F | 177 if (.not. bas_destroy(cd_bas_han))
182 if (.not.bas_destroy(XC_bas_han))
195 if (.not.((bas_destroy(ao_bas_han)) .and. (geom_destroy(geom)) ) )
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | int_term.F | 67 if (.not. bas_destroy(dk_fitbas)) call errquit(
141 if (.not. bas_destroy(dk_fitbas)) call errquit(
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_term.F | 67 if (.not. bas_destroy(dk_fitbas)) call errquit(
141 if (.not. bas_destroy(dk_fitbas)) call errquit(
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/ |
| H A D | nwdft.F | 445 if (.not. bas_destroy(FD_bas_han))
461 if(.not.bas_destroy(XC_bas_han))
465 if(.not.bas_destroy(CD_bas_han))
469 & bas_destroy(AO_bas_han)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/ |
| H A D | nwdft.F | 445 if (.not. bas_destroy(FD_bas_han))
461 if(.not.bas_destroy(XC_bas_han))
465 if(.not.bas_destroy(CD_bas_han))
469 & bas_destroy(AO_bas_han)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft_cg/ |
| H A D | dft_cg_info.F | 93 if (.not. bas_destroy(cd_basis)) call errquit
96 if (.not. bas_destroy(cd_basis)) call errquit
393 if (.not. bas_destroy(riscf_basis))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft_cg/ |
| H A D | dft_cg_info.F | 93 if (.not. bas_destroy(cd_basis)) call errquit
96 if (.not. bas_destroy(cd_basis)) call errquit
393 if (.not. bas_destroy(riscf_basis))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/auxil/ |
| H A D | do_chk_sum.F | 80 if (.not.bas_destroy(ribasis)) call errquit
349 if (.not.(bas_destroy(ribasis)))
353 if (.not.(bas_destroy(basis)))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/auxil/ |
| H A D | do_chk_sum.F | 80 if (.not.bas_destroy(ribasis)) call errquit
349 if (.not.(bas_destroy(ribasis)))
353 if (.not.(bas_destroy(basis)))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
| H A D | riscf_tidy.F | 33 status = bas_destroy ( riscf_basis )
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
| H A D | riscf_tidy.F | 33 status = bas_destroy ( riscf_basis )
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/ |
| H A D | tddft_grad_finalize.F | 43 if (.not.bas_destroy(ihdl_bfao))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/ |
| H A D | tddft_grad_finalize.F | 43 if (.not.bas_destroy(ihdl_bfao))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft/ |
| H A D | tddft_finalize.F | 38 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/ |
| H A D | hess_tidy.F | 24 if (.not. bas_destroy(basis))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft/ |
| H A D | tddft_finalize.F | 38 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/ |
| H A D | hess_tidy.F | 24 if (.not. bas_destroy(basis))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/moints/ |
| H A D | atwtest.F | 51 if (.not.bas_destroy(basis))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/moints/ |
| H A D | atwtest.F | 51 if (.not.bas_destroy(basis))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_tidy.F | 47 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/gradients/ |
| H A D | tce_grad_tidy.F | 47 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/gradients/ |
| H A D | tce_grad_tidy.F | 47 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_tidy.F | 47 if (.not.bas_destroy(ao_bas_han))
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
| H A D | int_rel_init.F | 231 if (.not. bas_destroy(lc_bsh)) call errquit(
238 if (.not. bas_destroy(sc_bsh)) call errquit(
|