bagel 1.1.0-1 / usr / share / doc / bagel / examples

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/usr/share/doc/bagel/examples/ is in bagel 1.1.0-1.

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File Mime Type Owner Mode Size
..
/usr/share/doc/bagel/examples/benzene_sto3g_asd-ras_stack.json text/plain root:root 0o644 2.2 KB
/usr/share/doc/bagel/examples/benzene_sto3g_asd_T.json text/plain root:root 0o644 2.9 KB
/usr/share/doc/bagel/examples/benzene_sto3g_asd_stack.json text/plain root:root 0o644 1.9 KB
/usr/share/doc/bagel/examples/benzene_sto3g_pml.json text/plain root:root 0o644 1.2 KB
/usr/share/doc/bagel/examples/benzene_svp_mp2.json text/plain root:root 0o644 1.1 KB
/usr/share/doc/bagel/examples/benzene_svp_mp2_aux.json text/plain root:root 0o644 1.2 KB
/usr/share/doc/bagel/examples/ch2_sto3g_meci_opt.json text/plain root:root 0o644 553 bytes
/usr/share/doc/bagel/examples/cuh2_ecp_hf.json text/plain root:root 0o644 518 bytes
/usr/share/doc/bagel/examples/h2o_sto3g_ras_full.json text/plain root:root 0o644 638 bytes
/usr/share/doc/bagel/examples/h2o_sto3g_ras_restricted.json text/plain root:root 0o644 638 bytes
/usr/share/doc/bagel/examples/h2o_svp_cas.json text/plain root:root 0o644 402 bytes
/usr/share/doc/bagel/examples/h2o_svp_fmm.json text/plain root:root 0o644 854 bytes
/usr/share/doc/bagel/examples/h2o_svp_fmm_restart.json text/plain root:root 0o644 928 bytes
/usr/share/doc/bagel/examples/h2o_svp_nevpt2.json text/plain root:root 0o644 560 bytes
/usr/share/doc/bagel/examples/hbr_ecp_sohf.json text/plain root:root 0o644 383 bytes
/usr/share/doc/bagel/examples/hc_svp_rohf.json text/plain root:root 0o644 353 bytes
/usr/share/doc/bagel/examples/hc_svp_rohf_opt.json text/plain root:root 0o644 403 bytes
/usr/share/doc/bagel/examples/hcl_svp_common_coulomb.json text/plain root:root 0o644 493 bytes
/usr/share/doc/bagel/examples/hcl_svp_common_gaunt.json text/plain root:root 0o644 515 bytes
/usr/share/doc/bagel/examples/hcl_svp_dfhf.json text/plain root:root 0o644 364 bytes
/usr/share/doc/bagel/examples/hcl_svp_dfhf_opt.json text/plain root:root 0o644 415 bytes
/usr/share/doc/bagel/examples/hcl_svp_london_coulomb.json text/plain root:root 0o644 653 bytes
/usr/share/doc/bagel/examples/he3_svp_asd-dmrg.json text/plain root:root 0o644 1.4 KB
/usr/share/doc/bagel/examples/he_tzvpp_second_coulomb.json text/plain root:root 0o644 320 bytes
/usr/share/doc/bagel/examples/hf_mix2_dfhf.json text/plain root:root 0o644 407 bytes
/usr/share/doc/bagel/examples/hf_mix_dfhf.json text/plain root:root 0o644 403 bytes
/usr/share/doc/bagel/examples/hf_mix_dfhf_finite.json text/plain root:root 0o644 451 bytes
/usr/share/doc/bagel/examples/hf_mix_dfhf_opt.json text/plain root:root 0o644 456 bytes
/usr/share/doc/bagel/examples/hf_new_dfhf.json text/plain root:root 0o644 444 bytes
/usr/share/doc/bagel/examples/hf_read_mol_cart.json text/plain root:root 0o644 164 bytes
/usr/share/doc/bagel/examples/hf_read_mol_sph.json text/plain root:root 0o644 141 bytes
/usr/share/doc/bagel/examples/hf_sto3g_fci_dist.json text/plain root:root 0o644 404 bytes
/usr/share/doc/bagel/examples/hf_sto3g_fci_hz.json text/plain root:root 0o644 404 bytes
/usr/share/doc/bagel/examples/hf_sto3g_fci_kh.json text/plain root:root 0o644 403 bytes
/usr/share/doc/bagel/examples/hf_sto3g_fci_restart.json text/plain root:root 0o644 448 bytes
/usr/share/doc/bagel/examples/hf_sto3g_relfci_breit.json text/plain root:root 0o644 463 bytes
/usr/share/doc/bagel/examples/hf_sto3g_relfci_coulomb.json text/plain root:root 0o644 408 bytes
/usr/share/doc/bagel/examples/hf_sto3g_relfci_gaunt.json text/plain root:root 0o644 467 bytes
/usr/share/doc/bagel/examples/hf_svp_b3lyp.json text/plain root:root 0o644 332 bytes
/usr/share/doc/bagel/examples/hf_svp_b3lyp_opt.json text/plain root:root 0o644 387 bytes
/usr/share/doc/bagel/examples/hf_svp_breit.json text/plain root:root 0o644 391 bytes
/usr/share/doc/bagel/examples/hf_svp_cas_opt.json text/plain root:root 0o644 418 bytes
/usr/share/doc/bagel/examples/hf_svp_cis.json text/plain root:root 0o644 371 bytes
/usr/share/doc/bagel/examples/hf_svp_common_dfhf.json text/plain root:root 0o644 437 bytes
/usr/share/doc/bagel/examples/hf_svp_coulomb.json text/plain root:root 0o644 394 bytes
/usr/share/doc/bagel/examples/hf_svp_coulomb_opt.json text/plain root:root 0o644 383 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf.json text/plain root:root 0o644 331 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_cart.json text/plain root:root 0o644 353 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_charge.json text/plain root:root 0o644 512 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh.json text/plain root:root 0o644 347 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_dkh_grad.json text/plain root:root 0o644 395 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_ext.json text/plain root:root 0o644 346 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt.json text/plain root:root 0o644 384 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_opt_cart.json text/plain root:root 0o644 408 bytes
/usr/share/doc/bagel/examples/hf_svp_dfhf_restart.json text/plain root:root 0o644 403 bytes
/usr/share/doc/bagel/examples/hf_svp_gaunt.json text/plain root:root 0o644 393 bytes
/usr/share/doc/bagel/examples/hf_svp_hf.json text/plain root:root 0o644 319 bytes
/usr/share/doc/bagel/examples/hf_svp_london_coulomb.json text/plain root:root 0o644 495 bytes
/usr/share/doc/bagel/examples/hf_svp_london_dfhf.json text/plain root:root 0o644 433 bytes
/usr/share/doc/bagel/examples/hf_svp_london_gaunt.json text/plain root:root 0o644 519 bytes
/usr/share/doc/bagel/examples/hf_svp_london_hf.json text/plain root:root 0o644 422 bytes
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_finite.json text/plain root:root 0o644 431 bytes
/usr/share/doc/bagel/examples/hf_svp_mp2_aux_opt.json text/plain root:root 0o644 436 bytes
/usr/share/doc/bagel/examples/hf_svp_mp2_opt.json text/plain root:root 0o644 404 bytes
/usr/share/doc/bagel/examples/hf_svp_sacas_opt.json text/plain root:root 0o644 436 bytes
/usr/share/doc/bagel/examples/hf_svp_second_coulomb.json text/plain root:root 0o644 417 bytes
/usr/share/doc/bagel/examples/hf_tzvpp_zcasscf_saveref.json text/plain root:root 0o644 1.1 KB
/usr/share/doc/bagel/examples/hf_write_mol_cart.json text/plain root:root 0o644 444 bytes
/usr/share/doc/bagel/examples/hf_write_mol_sph.json text/plain root:root 0o644 444 bytes
/usr/share/doc/bagel/examples/hhe_svp_fci2_trip.json text/plain root:root 0o644 454 bytes
/usr/share/doc/bagel/examples/hhe_svp_fci_hz_trip.json text/plain root:root 0o644 482 bytes
/usr/share/doc/bagel/examples/hhe_svp_fci_kh_trip.json text/plain root:root 0o644 485 bytes
/usr/share/doc/bagel/examples/hhe_svp_ras_full.json text/plain root:root 0o644 585 bytes
/usr/share/doc/bagel/examples/hhe_svp_ras_restricted.json text/plain root:root 0o644 584 bytes
/usr/share/doc/bagel/examples/li2_tzvpp_cas43.json text/plain root:root 0o644 497 bytes
/usr/share/doc/bagel/examples/lif_svp_cas22.json text/plain root:root 0o644 382 bytes
/usr/share/doc/bagel/examples/lif_svp_cas_nacme.json text/plain root:root 0o644 402 bytes
/usr/share/doc/bagel/examples/lif_svp_mscaspt2_grad.json text/plain root:root 0o644 545 bytes
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_finite.json text/plain root:root 0o644 560 bytes
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_grad.json text/plain root:root 0o644 544 bytes
/usr/share/doc/bagel/examples/lif_svp_xmscaspt2_nacme.json text/plain root:root 0o644 561 bytes
/usr/share/doc/bagel/examples/lih_tzvpp_cas22.json text/plain root:root 0o644 387 bytes
/usr/share/doc/bagel/examples/nh_svp_triplet_gaunt.json text/plain root:root 0o644 520 bytes
/usr/share/doc/bagel/examples/o2_321g_zcasscf_pseudospin.json text/plain root:root 0o644 875 bytes
/usr/share/doc/bagel/examples/o2_svp_triplet_breit.json text/plain root:root 0o644 569 bytes
/usr/share/doc/bagel/examples/oh_svp_uhf.json text/plain root:root 0o644 346 bytes
/usr/share/doc/bagel/examples/oh_svp_uhf_opt.json text/plain root:root 0o644 403 bytes
/usr/share/doc/bagel/examples/watertrimer_sto3g_pml_region.json text/plain root:root 0o644 955 bytes
/usr/share/doc/bagel/examples/watertrimer_sto3g_rl.json text/plain root:root 0o644 919 bytes

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