Tags: fishjojo/pyscfad
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Release v0.1.4 (#21) * update custom pytree node auxdata for safe compare * add fast moleintor vjp, dot_eri_dm vjp * dynamic config * add scipy * add int2e restore * add dfmp2, dfccsd * add iao; update dfmp2 * add rccsd energy * add ccsd symmetry * add _ao2mo * simplify ccsd_t_slow * add optimized ccsd_t * add timer * update eigh; add svd, lowdin jvp * add DF.loop * add df_jk_opt * add ao2mo.nr_e2_opt * avoid df.DF create tmp files * disable jit for ccsd which causes memory leak * update unpack_tril * update pack_tril * add jax scan version of dfmp2 * add boys localization * update implicit_diff, add boys, pipek-mezey * add cphf, mp2 rdm1 * drop support for python 3.7 * drop dependence on jaxopt * add pyscfadlib * add dcsd * add iterative t3 solver * test lo symmetry * update lo, add geomopt * fix basis exp and ctr_coeff derivative * improve eval_gto performance * add eval_gto ctr_coeff gradient * add eval_gto exponent gradient * refactor moleintor
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