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Searched refs:ga_antisymmetrize (Results 1 – 25 of 38) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/openshell/
H A Dzfock_os_exch.F106 call ga_antisymmetrize (g_fxim(1))
109 call ga_antisymmetrize (g_fxim(2))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/openshell/
H A Dzfock_os_exch.F106 call ga_antisymmetrize (g_fxim(1))
109 call ga_antisymmetrize (g_fxim(2))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/
H A Dshell_fock_build_ext.F554 call ga_antisymmetrize(g_fock(2))
557 call ga_antisymmetrize(g_fock(2))
559 call ga_antisymmetrize(g_fock(4))
565 call ga_antisymmetrize(g_fock(1)) ! assumption could be other
568 call ga_antisymmetrize(g_fock(1)) ! it works for uhf_hessv_2e2_opt
569 call ga_antisymmetrize(g_fock(2)) ! that will mimic uhf_hessv_2e2
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/
H A Dshell_fock_build_ext.F554 call ga_antisymmetrize(g_fock(2))
557 call ga_antisymmetrize(g_fock(2))
559 call ga_antisymmetrize(g_fock(4))
565 call ga_antisymmetrize(g_fock(1)) ! assumption could be other
568 call ga_antisymmetrize(g_fock(1)) ! it works for uhf_hessv_2e2_opt
569 call ga_antisymmetrize(g_fock(2)) ! that will mimic uhf_hessv_2e2
/dports/science/nwchem-data/nwchem-7.0.2-release/src/etrans/
H A Det_fock.F173 call ga_antisymmetrize (g_dens(i))
184 call ga_antisymmetrize (g_fock(i))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/etrans/
H A Det_fock.F173 call ga_antisymmetrize (g_dens(i))
184 call ga_antisymmetrize (g_fock(i))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/
H A Dzora_getv_so.F68 external grid_file_rewind,ga_antisymmetrize
329 call ga_antisymmetrize(g_zora_so(i))
340 call ga_antisymmetrize(g_zora_scale_so(i))
H A Dzora_getv_EFGZ4_SO.F64 & ga_antisymmetrize
241 call ga_antisymmetrize(g_efgz4_so(i))
H A Dzora_getv_EPR.F288 call ga_antisymmetrize(g_epr1(i))
298 call ga_antisymmetrize(g_epr2(i,j))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/
H A Dzora_getv_so.F68 external grid_file_rewind,ga_antisymmetrize
329 call ga_antisymmetrize(g_zora_so(i))
340 call ga_antisymmetrize(g_zora_scale_so(i))
H A Dzora_getv_EFGZ4_SO.F64 & ga_antisymmetrize
241 call ga_antisymmetrize(g_efgz4_so(i))
H A Dzora_getv_EPR.F288 call ga_antisymmetrize(g_epr1(i))
298 call ga_antisymmetrize(g_epr2(i,j))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/closedshell/
H A Dzfock_cs_exchim.F67 call ga_antisymmetrize (g_fxim)
H A Dzfock_cs_exch.F89 call ga_antisymmetrize (g_fxim)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/closedshell/
H A Dzfock_cs_exchim.F67 call ga_antisymmetrize (g_fxim)
H A Dzfock_cs_exch.F89 call ga_antisymmetrize (g_fxim)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/
H A Ddimqm_addop_uhf.F315 call ga_antisymmetrize(g_dim_r(2))
332 call ga_antisymmetrize(g_dim_i(2))
834 call ga_antisymmetrize(g_dim_r(2))
851 call ga_antisymmetrize(g_dim_i(2))
H A Ddimqm_addop.F473 call ga_antisymmetrize(g_dim_r(2))
490 call ga_antisymmetrize(g_dim_i(2))
H A Ddimqm_addop_cmplx.F449 call ga_antisymmetrize(g_dim_r(2))
466 call ga_antisymmetrize(g_dim_i(2))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/
H A Ddimqm_addop_uhf.F315 call ga_antisymmetrize(g_dim_r(2))
332 call ga_antisymmetrize(g_dim_i(2))
834 call ga_antisymmetrize(g_dim_r(2))
851 call ga_antisymmetrize(g_dim_i(2))
H A Ddimqm_addop_cmplx.F449 call ga_antisymmetrize(g_dim_r(2))
466 call ga_antisymmetrize(g_dim_i(2))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Drohf_hessv2.F351 call ga_antisymmetrize(g_dcv)
358 call ga_antisymmetrize(g_dpv)
359 call ga_antisymmetrize(g_dcp)
H A Drohf_hessv3.F581 call ga_antisymmetrize(g_dcv)
588 call ga_antisymmetrize(g_dpv)
589 call ga_antisymmetrize(g_dcp)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/
H A Drohf_hessv2.F351 call ga_antisymmetrize(g_dcv)
358 call ga_antisymmetrize(g_dpv)
359 call ga_antisymmetrize(g_dcp)
H A Drohf_hessv3.F581 call ga_antisymmetrize(g_dcv)
588 call ga_antisymmetrize(g_dpv)
589 call ga_antisymmetrize(g_dcp)

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