/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_prepare_mktop.F | 54 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,
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H A D | argos_prep_mktop.F | 50 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,
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H A D | argos_cafe_add_esa.F | 13 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),esa)
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H A D | argos_cafe_shakes.F | 19 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_print_energy.F | 12 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_init.F | 139 call argos_cafe_binit(dbl_mb(i_rbnd(2)),numb(2),2)
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H A D | argos_cafe_initb.F | 61 + l_rbnd(id),i_rbnd(id)))
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H A D | argos_cafe.F | 140 + 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)),
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H A D | argos_cafe_mlist.F | 56 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_polar.F | 141 + 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)),
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H A D | argos_cafe_common.fh | 66 + 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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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_mktop.F | 46 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,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_prep_mktop.F | 50 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,
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H A D | argos_prepare_mktop.F | 54 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,
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H A D | argos_cafe_add_esa.F | 13 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),esa)
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H A D | argos_cafe_shakes.F | 19 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_print_energy.F | 12 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_init.F | 139 call argos_cafe_binit(dbl_mb(i_rbnd(2)),numb(2),2)
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H A D | argos_cafe_initb.F | 61 + l_rbnd(id),i_rbnd(id)))
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H A D | argos_cafe.F | 140 + 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)),
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H A D | argos_cafe_mlist.F | 56 + int_mb(i_ibnd(2)),dbl_mb(i_bnd(2)),dbl_mb(i_rbnd(2)),
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H A D | argos_cafe_polar.F | 141 + 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)),
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H A D | argos_cafe_common.fh | 66 + 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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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_mktop.F | 46 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,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
H A D | cf_common.fh | 66 + 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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