文件名称:g03_man
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gaussian is a complex package for performing ab-initio quantum-mechanical molecular dynamics (MD) simulations
using pseudopotentials or the projector-augmented wave method and a plane wave basis set.
using pseudopotentials or the projector-augmented wave method and a plane wave basis set.
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下载文件列表
g03_man
.......\.DS_Store
.......\._.DS_Store
.......\g_bars
.......\......\663399_template.jpg
.......\......\9966CC_template.jpg
.......\......\_notes
.......\......\......\dwsync.xml
.......\......\about_g98.jpg
.......\......\about_gauss_sca.jpg
.......\......\about_gv3.jpg
.......\......\ac_name.jpg
.......\......\acad_binary_version_fees.jpg
.......\......\add_basis_sets.jpg
.......\......\add_cit_rec.jpg
.......\......\add_info.jpg
.......\......\add_jobs_steps.jpg
.......\......\add_option_polar.jpg
.......\......\add_ship_info.jpg
.......\......\addit_job_steps_wind.jpg
.......\......\address_phone.jpg
.......\......\alpha_linux_vers.jpg
.......\......\alt_forms.jpg
.......\......\anisotropic_hyper.jpg
.......\......\announcing_g03_gv3.jpg
.......\......\answer.jpg
.......\......\avail.jpg
.......\......\avail_restrictions.jpg
.......\......\availability.jpg
.......\......\avres.jpg
.......\......\ayc_name.jpg
.......\......\basis_set_clar.jpg
.......\......\basis_set_limit.jpg
.......\......\basis_sets.jpg
.......\......\basis_sets_green.jpg
.......\......\batch_proc_gjob_files.jpg
.......\......\benefis_stud.jpg
.......\......\bio_info.jpg
.......\......\bldg_fujitsu.jpg
.......\......\bldg_prog_rs6000.jpg
.......\......\calc_results.jpg
.......\......\calibration_studies.jpg
.......\......\casscf_eff.jpg
.......\......\citation.jpg
.......\......\conferences.jpg
.......\......\config_gauss_exec.jpg
.......\......\contact_ginc.jpg
.......\......\control_mem_usage.jpg
.......\......\contruct_zmatrices.jpg
.......\......\default_mem.jpg
.......\......\definitions.jpg
.......\......\dep_features.jpg
.......\......\desc.jpg
.......\......\description.jpg
.......\......\disp_pref.jpg
.......\......\dl_name.jpg
.......\......\e_g_f.jpg
.......\......\edit_pref.jpg
.......\......\eff_considerations.jpg
.......\......\eff_improv.jpg
.......\......\eg.jpg
.......\......\email_addresses.jpg
.......\......\email_czar.jpg
.......\......\email_ed_gauss_news.jpg
.......\......\email_expl_chem.jpg
.......\......\email_gaussinc.jpg
.......\......\email_pending_order.jpg
.......\......\email_req_help.jpg
.......\......\email_req_info.jpg
.......\......\email_sent.jpg
.......\......\email_wrkshp_coord.jpg
.......\......\enhance_util_prog.jpg
.......\......\error_form.jpg
.......\......\est_calc_mem.jpg
.......\......\examples.jpg
.......\......\excited_states.jpg
.......\......\exerc_3.jpg
.......\......\exerc_5.jpg
.......\......\exp_chem.jpg
.......\......\exp_chem_2nd.jpg
.......\......\faq.jpg
.......\......\faqs.jpg
.......\......\file_menu.jpg
.......\......\find_out_more.jpg
.......\......\fnd_alg.jpg
.......\......\fortran_comp.jpg
.......\......\func_diff_03_98.jpg
.......\......\func_diff_98_94.jpg
.......\......\fund_theory.jpg
.......\......\fut_conferences.jpg
.......\......\g03_ input_overview.jpg
.......\......\g03_acad_china.jpg
.......\......\g03_acad_pr.jpg
.......\......\g03_avail_vers.jpg
.......\......\g03_comm_china.jpg
.......\......\g03_comm_pr.jpg
.......\......\g03_help_table.jpg
.......\......\g03_jobtypes.jpg
.......\......\g03_usgov_pr.jpg
.......\......\g03im_acad_china.jpg
.......\.DS_Store
.......\._.DS_Store
.......\g_bars
.......\......\663399_template.jpg
.......\......\9966CC_template.jpg
.......\......\_notes
.......\......\......\dwsync.xml
.......\......\about_g98.jpg
.......\......\about_gauss_sca.jpg
.......\......\about_gv3.jpg
.......\......\ac_name.jpg
.......\......\acad_binary_version_fees.jpg
.......\......\add_basis_sets.jpg
.......\......\add_cit_rec.jpg
.......\......\add_info.jpg
.......\......\add_jobs_steps.jpg
.......\......\add_option_polar.jpg
.......\......\add_ship_info.jpg
.......\......\addit_job_steps_wind.jpg
.......\......\address_phone.jpg
.......\......\alpha_linux_vers.jpg
.......\......\alt_forms.jpg
.......\......\anisotropic_hyper.jpg
.......\......\announcing_g03_gv3.jpg
.......\......\answer.jpg
.......\......\avail.jpg
.......\......\avail_restrictions.jpg
.......\......\availability.jpg
.......\......\avres.jpg
.......\......\ayc_name.jpg
.......\......\basis_set_clar.jpg
.......\......\basis_set_limit.jpg
.......\......\basis_sets.jpg
.......\......\basis_sets_green.jpg
.......\......\batch_proc_gjob_files.jpg
.......\......\benefis_stud.jpg
.......\......\bio_info.jpg
.......\......\bldg_fujitsu.jpg
.......\......\bldg_prog_rs6000.jpg
.......\......\calc_results.jpg
.......\......\calibration_studies.jpg
.......\......\casscf_eff.jpg
.......\......\citation.jpg
.......\......\conferences.jpg
.......\......\config_gauss_exec.jpg
.......\......\contact_ginc.jpg
.......\......\control_mem_usage.jpg
.......\......\contruct_zmatrices.jpg
.......\......\default_mem.jpg
.......\......\definitions.jpg
.......\......\dep_features.jpg
.......\......\desc.jpg
.......\......\description.jpg
.......\......\disp_pref.jpg
.......\......\dl_name.jpg
.......\......\e_g_f.jpg
.......\......\edit_pref.jpg
.......\......\eff_considerations.jpg
.......\......\eff_improv.jpg
.......\......\eg.jpg
.......\......\email_addresses.jpg
.......\......\email_czar.jpg
.......\......\email_ed_gauss_news.jpg
.......\......\email_expl_chem.jpg
.......\......\email_gaussinc.jpg
.......\......\email_pending_order.jpg
.......\......\email_req_help.jpg
.......\......\email_req_info.jpg
.......\......\email_sent.jpg
.......\......\email_wrkshp_coord.jpg
.......\......\enhance_util_prog.jpg
.......\......\error_form.jpg
.......\......\est_calc_mem.jpg
.......\......\examples.jpg
.......\......\excited_states.jpg
.......\......\exerc_3.jpg
.......\......\exerc_5.jpg
.......\......\exp_chem.jpg
.......\......\exp_chem_2nd.jpg
.......\......\faq.jpg
.......\......\faqs.jpg
.......\......\file_menu.jpg
.......\......\find_out_more.jpg
.......\......\fnd_alg.jpg
.......\......\fortran_comp.jpg
.......\......\func_diff_03_98.jpg
.......\......\func_diff_98_94.jpg
.......\......\fund_theory.jpg
.......\......\fut_conferences.jpg
.......\......\g03_ input_overview.jpg
.......\......\g03_acad_china.jpg
.......\......\g03_acad_pr.jpg
.......\......\g03_avail_vers.jpg
.......\......\g03_comm_china.jpg
.......\......\g03_comm_pr.jpg
.......\......\g03_help_table.jpg
.......\......\g03_jobtypes.jpg
.......\......\g03_usgov_pr.jpg
.......\......\g03im_acad_china.jpg