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Searched refs:i_rbnd (Results 1 – 25 of 34) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/
H A Dargos_prepare_mktop.F54 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd
236 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
306 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
331 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
373 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
489 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
506 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
H A Dargos_prep_mktop.F50 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd
232 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
302 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
327 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
369 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
482 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
499 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
H A Dargos_cafe_add_esa.F13 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),esa)
H A Dargos_cafe_shakes.F19 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_print_energy.F12 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_init.F139 call argos_cafe_binit(dbl_mb(i_rbnd(2)),numb(2),2)
H A Dargos_cafe_initb.F61 + l_rbnd(id),i_rbnd(id)))
H A Dargos_cafe.F140 + int_mb(i_ibnd(1)),dbl_mb(i_bnd(1)),dbl_mb(i_rbnd(1)),
231 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_mlist.F56 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_polar.F141 + int_mb(i_ibnd(1)),dbl_mb(i_bnd(1)),dbl_mb(i_rbnd(1)),
238 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_common.fh66 + i_rbnd(mbs),l_rbnd(mbs),i_rang(mbs),l_rang(mbs),
87 + i_ibnd,l_ibnd,i_bnd,l_bnd,i_rbnd,l_rbnd,
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/
H A Dpre_mktop.F46 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd
228 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
298 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
323 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
365 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
477 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
494 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/
H A Dargos_prep_mktop.F50 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd local
232 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
302 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
327 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
369 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
482 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
499 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
H A Dargos_prepare_mktop.F54 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd
236 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
306 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
331 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
373 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
489 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
506 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
H A Dargos_cafe_add_esa.F13 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),esa)
H A Dargos_cafe_shakes.F19 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_print_energy.F12 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_init.F139 call argos_cafe_binit(dbl_mb(i_rbnd(2)),numb(2),2)
H A Dargos_cafe_initb.F61 + l_rbnd(id),i_rbnd(id)))
H A Dargos_cafe.F140 + int_mb(i_ibnd(1)),dbl_mb(i_bnd(1)),dbl_mb(i_rbnd(1)),
231 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_mlist.F56 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_polar.F141 + int_mb(i_ibnd(1)),dbl_mb(i_bnd(1)),dbl_mb(i_rbnd(1)),
238 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
H A Dargos_cafe_common.fh66 + i_rbnd(mbs),l_rbnd(mbs),i_rang(mbs),l_rang(mbs),
87 + i_ibnd,l_ibnd,i_bnd,l_bnd,i_rbnd,l_rbnd,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/
H A Dpre_mktop.F46 integer l_lbnd,i_lbnd,l_rbnd,i_rbnd
228 if(.not.ma_push_get(mt_dbl,2*nparms*mbnd,'rbnd',l_rbnd,i_rbnd))
298 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,
323 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
365 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbndt,
477 + int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,nbnd,nbndt,
494 + dbl_mb(i_qatm),matm,natm,int_mb(i_lbnd),dbl_mb(i_rbnd),mbnd,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/
H A Dcf_common.fh66 + i_rbnd(mbs),l_rbnd(mbs),i_rang(mbs),l_rang(mbs),
87 + i_ibnd,l_ibnd,i_bnd,l_bnd,i_rbnd,l_rbnd,

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