/dports/science/nwchem-data/nwchem-7.0.2-release/src/cphf/ |
H A D | cphf_solve2.F | 358 call ga_lkain(rtdb,g_work, g_grad, uhf_hessv2, uhf_precond, 385 call ga_lkain(rtdb,g_work, g_grad, rohf_hessv2,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cphf/ |
H A D | cphf_solve2.F | 358 call ga_lkain(rtdb,g_work, g_grad, uhf_hessv2, uhf_precond, 385 call ga_lkain(rtdb,g_work, g_grad, rohf_hessv2,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_solve.F | 226 call ga_lkain(rtdb,g_x,g_b,tddft_grad_solve_product,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/ |
H A D | tddft_grad_solve.F | 226 call ga_lkain(rtdb,g_x,g_b,tddft_grad_solve_product,
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
H A D | ga_it2.F | 208 call ga_lkain(0,g_x, g_b,test_product,test_precond,1d-6,maxsub, 294 call ga_lkain(0,g_x, g_b,test_product,test_precond,1d-6,maxsub, 407 subroutine ga_lkain(rtdb,g_x, g_b, product, precond, subroutine
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
H A D | ga_it2.F | 208 call ga_lkain(0,g_x, g_b,test_product,test_precond,1d-6,maxsub, 294 call ga_lkain(0,g_x, g_b,test_product,test_precond,1d-6,maxsub, 407 subroutine ga_lkain(rtdb,g_x, g_b, product, precond, subroutine
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/spin_ecps_o_hess/ |
H A D | spin_ecps_o_hess.out | 444 BEF ga_lkain-uhf 981 BEF ga_lkain-uhf 1525 BEF ga_lkain-uhf 2068 BEF ga_lkain-uhf 2613 BEF ga_lkain-uhf
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/spin_ecps_o_hess/ |
H A D | spin_ecps_o_hess.out | 444 BEF ga_lkain-uhf 981 BEF ga_lkain-uhf 1525 BEF ga_lkain-uhf 2068 BEF ga_lkain-uhf 2613 BEF ga_lkain-uhf
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dimqm_fd_pol/ |
H A D | dimqm_fd_pol.out | 1031 …ga_lkain filestub:cphf_sol … 1032 …ga_lkain filesoln:./dimqm_fd_pol.cphf_sol …
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dimqm_fd_pol/ |
H A D | dimqm_fd_pol.out | 1031 …ga_lkain filestub:cphf_sol … 1032 …ga_lkain filesoln:./dimqm_fd_pol.cphf_sol …
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o2-prop-notrans/ |
H A D | h2o2-prop-notrans.out | 1142 …ga_lkain filestub:cphf_sol … 1143 …ga_lkain filesoln:./h2o2-prop-notrans.cphf_sol …
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o2-prop-notrans/ |
H A D | h2o2-prop-notrans.out | 1142 …ga_lkain filestub:cphf_sol … 1143 …ga_lkain filesoln:./h2o2-prop-notrans.cphf_sol …
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o2-response-uhf/ |
H A D | h2o2-response-uhf.out | 1347 …ga_lkain filestub:cphf_sol … 1348 …ga_lkain filesoln:./h2o2.cphf_sol …
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/li3-c2v/ |
H A D | li3-c2v.out | 1311 …ga_lkain filestub:cphf_sol … 1312 …ga_lkain filesoln:./li3-c2v.cphf_sol …
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o2-response-uhf/ |
H A D | h2o2-response-uhf.out | 1347 …ga_lkain filestub:cphf_sol … 1348 …ga_lkain filesoln:./h2o2.cphf_sol …
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/li3-c2v/ |
H A D | li3-c2v.out | 1311 …ga_lkain filestub:cphf_sol … 1312 …ga_lkain filesoln:./li3-c2v.cphf_sol …
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/h2o2-response/ |
H A D | h2o2-response.out | 943 …ga_lkain filestub:cphf_sol … 944 …ga_lkain filesoln:./h2o2.cphf_sol …
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/h2o2-response/ |
H A D | h2o2-response.out | 943 …ga_lkain filestub:cphf_sol … 944 …ga_lkain filesoln:./h2o2.cphf_sol …
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