README.md
pyproject.toml
setup.py
jxc/__init__.py
jxc/composite.py
jxc/get_params.py
jxc/helper.cpython-313-x86_64-linux-gnu.so
jxc/libxc_aliases.py
jxc/maple_series_overrides.py
jxc/maple_taylor_overrides.py
jxc/functionals/__init__.py
jxc/functionals/_libxc_laplacian.py
jxc/functionals/deorbitalized_common.py
jxc/functionals/gga_c_acgga.py
jxc/functionals/gga_c_acggap.py
jxc/functionals/gga_c_am05.py
jxc/functionals/gga_c_bmk.py
jxc/functionals/gga_c_ccdf.py
jxc/functionals/gga_c_chachiyo.py
jxc/functionals/gga_c_cs1.py
jxc/functionals/gga_c_ft97.py
jxc/functionals/gga_c_gapc.py
jxc/functionals/gga_c_gaploc.py
jxc/functionals/gga_c_hcth_a.py
jxc/functionals/gga_c_lm.py
jxc/functionals/gga_c_lyp.py
jxc/functionals/gga_c_lypr.py
jxc/functionals/gga_c_op_b88.py
jxc/functionals/gga_c_op_g96.py
jxc/functionals/gga_c_op_pbe.py
jxc/functionals/gga_c_op_pw91.py
jxc/functionals/gga_c_op_xalpha.py
jxc/functionals/gga_c_optc.py
jxc/functionals/gga_c_p86.py
jxc/functionals/gga_c_p86vwn.py
jxc/functionals/gga_c_pbe.py
jxc/functionals/gga_c_pbe_erf_gws.py
jxc/functionals/gga_c_pbe_vwn.py
jxc/functionals/gga_c_pbeloc.py
jxc/functionals/gga_c_pw91.py
jxc/functionals/gga_c_q2d.py
jxc/functionals/gga_c_regtpss.py
jxc/functionals/gga_c_revtca.py
jxc/functionals/gga_c_scan_e0.py
jxc/functionals/gga_c_sg4.py
jxc/functionals/gga_c_sogga11.py
jxc/functionals/gga_c_tca.py
jxc/functionals/gga_c_w94.py
jxc/functionals/gga_c_wi.py
jxc/functionals/gga_c_wl.py
jxc/functionals/gga_c_zpbeint.py
jxc/functionals/gga_c_zvpbeint.py
jxc/functionals/gga_c_zvpbeloc.py
jxc/functionals/gga_k_apbe.py
jxc/functionals/gga_k_apbeint.py
jxc/functionals/gga_k_dk.py
jxc/functionals/gga_k_exp4.py
jxc/functionals/gga_k_lc94.py
jxc/functionals/gga_k_lgap.py
jxc/functionals/gga_k_lgap_ge.py
jxc/functionals/gga_k_lkt.py
jxc/functionals/gga_k_llp.py
jxc/functionals/gga_k_meyer.py
jxc/functionals/gga_k_mpbe.py
jxc/functionals/gga_k_ol1.py
jxc/functionals/gga_k_ol2.py
jxc/functionals/gga_k_pearson.py
jxc/functionals/gga_k_pg.py
jxc/functionals/gga_k_pw86.py
jxc/functionals/gga_k_rational_p.py
jxc/functionals/gga_k_tflw.py
jxc/functionals/gga_k_thakkar.py
jxc/functionals/gga_k_vt84f.py
jxc/functionals/gga_x_2d_b86.py
jxc/functionals/gga_x_2d_b86_mgc.py
jxc/functionals/gga_x_2d_b88.py
jxc/functionals/gga_x_2d_pbe.py
jxc/functionals/gga_x_airy.py
jxc/functionals/gga_x_ak13.py
jxc/functionals/gga_x_am05.py
jxc/functionals/gga_x_b86.py
jxc/functionals/gga_x_b88.py
jxc/functionals/gga_x_bayesian.py
jxc/functionals/gga_x_beefvdw.py
jxc/functionals/gga_x_bkl.py
jxc/functionals/gga_x_bpccac.py
jxc/functionals/gga_x_c09x.py
jxc/functionals/gga_x_cap.py
jxc/functionals/gga_x_chachiyo.py
jxc/functionals/gga_x_dk87.py
jxc/functionals/gga_x_ev93.py
jxc/functionals/gga_x_fd_lb94.py
jxc/functionals/gga_x_ft97.py
jxc/functionals/gga_x_g96.py
jxc/functionals/gga_x_gg99.py
jxc/functionals/gga_x_hcth_a.py
jxc/functionals/gga_x_hjs.py
jxc/functionals/gga_x_hjs_b88.py
jxc/functionals/gga_x_hjs_b88_v2.py
jxc/functionals/gga_x_htbs.py
jxc/functionals/gga_x_ityh.py
jxc/functionals/gga_x_ityh_optx.py
jxc/functionals/gga_x_ityh_pbe.py
jxc/functionals/gga_x_kt.py
jxc/functionals/gga_x_lb.py
jxc/functionals/gga_x_lg93.py
jxc/functionals/gga_x_lspbe.py
jxc/functionals/gga_x_lsrpbe.py
jxc/functionals/gga_x_lv_rpw86.py
jxc/functionals/gga_x_mpbe.py
jxc/functionals/gga_x_n12.py
jxc/functionals/gga_x_ncap.py
jxc/functionals/gga_x_ol2.py
jxc/functionals/gga_x_optx.py
jxc/functionals/gga_x_pbe.py
jxc/functionals/gga_x_pbe_erf_gws.py
jxc/functionals/gga_x_pbea.py
jxc/functionals/gga_x_pbeint.py
jxc/functionals/gga_x_pbepow.py
jxc/functionals/gga_x_pbetrans.py
jxc/functionals/gga_x_pw86.py
jxc/functionals/gga_x_pw91.py
jxc/functionals/gga_x_q1d.py
jxc/functionals/gga_x_q2d.py
jxc/functionals/gga_x_rge2.py
jxc/functionals/gga_x_rpbe.py
jxc/functionals/gga_x_s12.py
jxc/functionals/gga_x_sfat.py
jxc/functionals/gga_x_sfat_pbe.py
jxc/functionals/gga_x_sg4.py
jxc/functionals/gga_x_sogga11.py
jxc/functionals/gga_x_ssb_sw.py
jxc/functionals/gga_x_vmt.py
jxc/functionals/gga_x_vmt84.py
jxc/functionals/gga_x_wc.py
jxc/functionals/gga_x_wpbeh.py
jxc/functionals/gga_xc_b97.py
jxc/functionals/gga_xc_th1.py
jxc/functionals/gga_xc_th2.py
jxc/functionals/gga_xc_th3.py
jxc/functionals/hyb_gga_x_cam_s12.py
jxc/functionals/hyb_gga_xc_case21.py
jxc/functionals/hyb_gga_xc_wb97.py
jxc/functionals/hyb_lda_xc_bn05.py
jxc/functionals/hyb_mgga_x_dldf.py
jxc/functionals/hyb_mgga_x_js18.py
jxc/functionals/hyb_mgga_x_m05.py
jxc/functionals/hyb_mgga_x_pjs18.py
jxc/functionals/hyb_mgga_xc_gas22.py
jxc/functionals/hyb_mgga_xc_wb97mv.py
jxc/functionals/jax_derivatives.py
jxc/functionals/lda_c_1d_csc.py
jxc/functionals/lda_c_1d_loos.py
jxc/functionals/lda_c_2d_amgb.py
jxc/functionals/lda_c_2d_prm.py
jxc/functionals/lda_c_chachiyo.py
jxc/functionals/lda_c_chachiyo_mod.py
jxc/functionals/lda_c_epc17.py
jxc/functionals/lda_c_epc18.py
jxc/functionals/lda_c_gk72.py
jxc/functionals/lda_c_gombas.py
jxc/functionals/lda_c_hl.py
jxc/functionals/lda_c_lp96.py
jxc/functionals/lda_c_ml1.py
jxc/functionals/lda_c_pk09.py
jxc/functionals/lda_c_pmgb06.py
jxc/functionals/lda_c_pw.py
jxc/functionals/lda_c_pw_erf.py
jxc/functionals/lda_c_pz.py
jxc/functionals/lda_c_rc04.py
jxc/functionals/lda_c_rpa.py
jxc/functionals/lda_c_vwn.py
jxc/functionals/lda_c_vwn_1.py
jxc/functionals/lda_c_vwn_2.py
jxc/functionals/lda_c_vwn_3.py
jxc/functionals/lda_c_vwn_4.py
jxc/functionals/lda_c_vwn_rpa.py
jxc/functionals/lda_c_w20.py
jxc/functionals/lda_c_wigner.py
jxc/functionals/lda_k_gds08_worker.py
jxc/functionals/lda_k_tf.py
jxc/functionals/lda_k_zlp.py
jxc/functionals/lda_x.py
jxc/functionals/lda_x_1d_exponential.py
jxc/functionals/lda_x_1d_soft.py
jxc/functionals/lda_x_2d.py
jxc/functionals/lda_x_erf.py
jxc/functionals/lda_x_rel.py
jxc/functionals/lda_x_sloc.py
jxc/functionals/lda_x_yukawa.py
jxc/functionals/lda_xc_1d_ehwlrg.py
jxc/functionals/lda_xc_ksdt.py
jxc/functionals/lda_xc_teter93.py
jxc/functionals/lda_xc_tih.py
jxc/functionals/lda_xc_zlp.py
jxc/functionals/mgga_c_b88.py
jxc/functionals/mgga_c_b94.py
jxc/functionals/mgga_c_bc95.py
jxc/functionals/mgga_c_cc.py
jxc/functionals/mgga_c_ccalda.py
jxc/functionals/mgga_c_cs.py
jxc/functionals/mgga_c_kcis.py
jxc/functionals/mgga_c_kcisk.py
jxc/functionals/mgga_c_ltapw.py
jxc/functionals/mgga_c_m05.py
jxc/functionals/mgga_c_m06l.py
jxc/functionals/mgga_c_m08.py
jxc/functionals/mgga_c_pkzb.py
jxc/functionals/mgga_c_r2scan.py
jxc/functionals/mgga_c_r2scanl.py
jxc/functionals/mgga_c_revscan.py
jxc/functionals/mgga_c_revtpss.py
jxc/functionals/mgga_c_rmggac.py
jxc/functionals/mgga_c_rppscan.py
jxc/functionals/mgga_c_rregtm.py
jxc/functionals/mgga_c_rscan.py
jxc/functionals/mgga_c_scan.py
jxc/functionals/mgga_c_scanl.py
jxc/functionals/mgga_c_tpss.py
jxc/functionals/mgga_c_tpssloc.py
jxc/functionals/mgga_c_vsxc.py
jxc/functionals/mgga_k_csk.py
jxc/functionals/mgga_k_csk_loc.py
jxc/functionals/mgga_k_gea2.py
jxc/functionals/mgga_k_gea4.py
jxc/functionals/mgga_k_lk.py
jxc/functionals/mgga_k_pc07.py
jxc/functionals/mgga_k_pgslb.py
jxc/functionals/mgga_k_rda.py
jxc/functionals/mgga_x_2d_js17.py
jxc/functionals/mgga_x_2d_prhg07.py
jxc/functionals/mgga_x_2d_prp10.py
jxc/functionals/mgga_x_br89.py
jxc/functionals/mgga_x_br89_explicit.py
jxc/functionals/mgga_x_edmgga.py
jxc/functionals/mgga_x_eel.py
jxc/functionals/mgga_x_ft98.py
jxc/functionals/mgga_x_gdme.py
jxc/functionals/mgga_x_gvt4.py
jxc/functionals/mgga_x_gx.py
jxc/functionals/mgga_x_jk.py
jxc/functionals/mgga_x_ktbm.py
jxc/functionals/mgga_x_lak.py
jxc/functionals/mgga_x_lta.py
jxc/functionals/mgga_x_m06l.py
jxc/functionals/mgga_x_m08.py
jxc/functionals/mgga_x_m11.py
jxc/functionals/mgga_x_m11_l.py
jxc/functionals/mgga_x_mbeef.py
jxc/functionals/mgga_x_mbeefvdw.py
jxc/functionals/mgga_x_mbr.py
jxc/functionals/mgga_x_mbrxc_bg.py
jxc/functionals/mgga_x_mbrxh_bg.py
jxc/functionals/mgga_x_mcml.py
jxc/functionals/mgga_x_mggac.py
jxc/functionals/mgga_x_mn12.py
jxc/functionals/mgga_x_ms.py
jxc/functionals/mgga_x_msb.py
jxc/functionals/mgga_x_msb86bl.py
jxc/functionals/mgga_x_mspbel.py
jxc/functionals/mgga_x_msrpbel.py
jxc/functionals/mgga_x_mvs.py
jxc/functionals/mgga_x_mvsb.py
jxc/functionals/mgga_x_pbe_gx.py
jxc/functionals/mgga_x_pkzb.py
jxc/functionals/mgga_x_r2scan.py
jxc/functionals/mgga_x_r2scanl.py
jxc/functionals/mgga_x_r4scan.py
jxc/functionals/mgga_x_regtm.py
jxc/functionals/mgga_x_regtpss.py
jxc/functionals/mgga_x_revscan.py
jxc/functionals/mgga_x_revscanl.py
jxc/functionals/mgga_x_revtm.py
jxc/functionals/mgga_x_rlda.py
jxc/functionals/mgga_x_rppscan.py
jxc/functionals/mgga_x_rscan.py
jxc/functionals/mgga_x_rtpss.py
jxc/functionals/mgga_x_sa_tpss.py
jxc/functionals/mgga_x_scan.py
jxc/functionals/mgga_x_scanl.py
jxc/functionals/mgga_x_task.py
jxc/functionals/mgga_x_tau_hcth.py
jxc/functionals/mgga_x_tb09.py
jxc/functionals/mgga_x_th.py
jxc/functionals/mgga_x_tm.py
jxc/functionals/mgga_x_tpss.py
jxc/functionals/mgga_x_vcml.py
jxc/functionals/mgga_x_vt84.py
jxc/functionals/mgga_xc_b97mv.py
jxc/functionals/mgga_xc_b98.py
jxc/functionals/mgga_xc_cc06.py
jxc/functionals/mgga_xc_lp90.py
jxc/functionals/mgga_xc_zlp.py
jxc/functionals/util.py
jxc/functionals/utils.py
jxc_python.egg-info/PKG-INFO
jxc_python.egg-info/SOURCES.txt
jxc_python.egg-info/dependency_links.txt
jxc_python.egg-info/requires.txt
jxc_python.egg-info/top_level.txt
tests/test_composite.py