Input File System with PyOQP

The input file is composed of Groups of Keywords.

The Groups and corresponding Keywords

Group	Keywords	Description
INPUT	charge, basis, functional, method, runtype, system, system2, d4	Options for overall computations
GUESS	type, file, file2, save_mol, continue_geom	Options for initial orbital guess
SCF	type, maxit, maxdiis, diis_reset_mod, diis_reset_conv, diis_method_threshold, diis_type, vdiis_cdiis_switch, vdiis_vshift_switch, vshift_cdiis_switch, vshift, mom, mom_switch, multiplicity, conv, incremental, init_scf, init_it, save_molden	SCF options
DFTGRID	hfscale, cam_flag, cam_alpha, cam_beta, cam_mu, rad_type, rad_npts, ang_npts, partfun, pruned, grid_ao_pruned, grid_ao_threshold, grid_ao_sparsity_ratio	DFT Grid Options
TDHF	type, maxit, maxit_zv, multiplicity, conv, nstate, zvconv, nvdav, tlf, hfscale, cam_flag, cam_alpha, cam_beta, cam_mu, spc_coco, spc_ovov, spc_coov, conf_threshold	TDDFT, SF-TDDFT and MRSF-TDDFT Options
PROPERTIES	scf_prop, td_prop, grad, nac, soc, export, title, back_door	Various Property Calculation Options
OPTIMIZE	lib, optimizer, step_size, step_tol, maxit, mep_maxit, rmsd_grad, rmsd_step, max_grad, max_step, istate, jstate, energy_shift, energy_gap, meci_search, pen_sigma, pen_alpha, pen_incre, gap_weight, init_scf	Various Optimization Options
DLFIND	printl, icoord, opt, ims	DLFIND Specific Options
HESS	type, state, dx, nproc, read, restart, temperature, clean	Hessian Options
NAC	type, dt, dx, bp, nproc, restart, clean, states, alignreorder	Nonadiabatic Coupling Options

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