283 lines
9.9 KiB
Plaintext
283 lines
9.9 KiB
Plaintext
%%DATADIR%%/ALL_BASIS_SETS
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%%DATADIR%%/ALL_POTENTIALS
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%%DATADIR%%/AcPP1_POTENTIALS
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%%DATADIR%%/AcPP2_POTENTIALS
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%%DATADIR%%/Allegro/waterscan-allegro0.8.0.nequip.pth
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%%DATADIR%%/BASIS_ADMM
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%%DATADIR%%/BASIS_ADMM_MOLOPT
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%%DATADIR%%/BASIS_ADMM_UZH
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%%DATADIR%%/BASIS_ADMM_ae
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%%DATADIR%%/BASIS_AUG_MOLOPT
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%%DATADIR%%/BASIS_LRIGPW_AUXMOLOPT
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%%DATADIR%%/BASIS_MINBAS
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%%DATADIR%%/BASIS_MINIX
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%%DATADIR%%/BASIS_MOLOPT
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%%DATADIR%%/BASIS_MOLOPT_AcPP1
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%%DATADIR%%/BASIS_MOLOPT_AcPP2
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%%DATADIR%%/BASIS_MOLOPT_LnPP1
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%%DATADIR%%/BASIS_MOLOPT_LnPP2
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%%DATADIR%%/BASIS_MOLOPT_PSI
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%%DATADIR%%/BASIS_MOLOPT_UCL
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%%DATADIR%%/BASIS_MOLOPT_UZH
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%%DATADIR%%/BASIS_MOLOPT_UZH_2026.1
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%%DATADIR%%/BASIS_MOLOPT_UZH_2026.2
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%%DATADIR%%/BASIS_PERIODIC_GW
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%%DATADIR%%/BASIS_RI_AUG_MOLOPT
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%%DATADIR%%/BASIS_RI_MOLOPT
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%%DATADIR%%/BASIS_RI_cc-TZ
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%%DATADIR%%/BASIS_SET
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%%DATADIR%%/BASIS_TB_AE
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%%DATADIR%%/BASIS_TB_UZH
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%%DATADIR%%/BASIS_ZIJLSTRA
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%%DATADIR%%/BASIS_ccGRB_UZH
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%%DATADIR%%/BASIS_def2_QZVP_RI_ALL
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%%DATADIR%%/BASIS_pob
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%%DATADIR%%/DFTB/nonscc/bb
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%%DATADIR%%/DFTB/nonscc/bc
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%%DATADIR%%/DFTB/nonscc/bh
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%%DATADIR%%/DFTB/nonscc/bn
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%%DATADIR%%/DFTB/nonscc/cb
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%%DATADIR%%/DFTB/nonscc/cc
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%%DATADIR%%/DFTB/nonscc/cf
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%%DATADIR%%/DFTB/nonscc/ch
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%%DATADIR%%/DFTB/nonscc/clcl_exp
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%%DATADIR%%/DFTB/nonscc/clk_exp
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%%DATADIR%%/DFTB/nonscc/clli_exp
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%%DATADIR%%/DFTB/nonscc/clna_exp
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%%DATADIR%%/DFTB/nonscc/cn
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%%DATADIR%%/DFTB/nonscc/co
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%%DATADIR%%/DFTB/nonscc/csc
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%%DATADIR%%/DFTB/nonscc/csi
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%%DATADIR%%/DFTB/nonscc/fc
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%%DATADIR%%/DFTB/nonscc/ff
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%%DATADIR%%/DFTB/nonscc/fh
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%%DATADIR%%/DFTB/nonscc/hb
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%%DATADIR%%/DFTB/nonscc/hh
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%%DATADIR%%/DFTB/nonscc/hh0
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%%DATADIR%%/DFTB/nonscc/kcl_exp
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%%DATADIR%%/DFTB/nonscc/kk_exp
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%%DATADIR%%/DFTB/nonscc/licl_exp
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%%DATADIR%%/DFTB/nonscc/lili_exp
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%%DATADIR%%/DFTB/nonscc/momo
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%%DATADIR%%/DFTB/nonscc/mos
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%%DATADIR%%/DFTB/nonscc/nacl_exp
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%%DATADIR%%/DFTB/nonscc/nana_exp
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%%DATADIR%%/DFTB/nonscc/nb
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%%DATADIR%%/DFTB/nonscc/nbnb
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%%DATADIR%%/DFTB/nonscc/nbs
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%%DATADIR%%/DFTB/nonscc/nc
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%%DATADIR%%/DFTB/nonscc/nh
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%%DATADIR%%/DFTB/nonscc/nn
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%%DATADIR%%/DFTB/nonscc/no
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%%DATADIR%%/DFTB/nonscc/nonscc_parameter
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%%DATADIR%%/DFTB/nonscc/nsc
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%%DATADIR%%/DFTB/nonscc/nsi
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%%DATADIR%%/DFTB/nonscc/oc
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%%DATADIR%%/DFTB/nonscc/oh
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%%DATADIR%%/DFTB/nonscc/on
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%%DATADIR%%/DFTB/nonscc/oo
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%%DATADIR%%/DFTB/nonscc/osi
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%%DATADIR%%/DFTB/nonscc/osi-d
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%%DATADIR%%/DFTB/nonscc/pp
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%%DATADIR%%/DFTB/nonscc/scc
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%%DATADIR%%/DFTB/nonscc/scn
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%%DATADIR%%/DFTB/nonscc/scsc
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%%DATADIR%%/DFTB/nonscc/sic
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%%DATADIR%%/DFTB/nonscc/sih
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%%DATADIR%%/DFTB/nonscc/sih-d
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%%DATADIR%%/DFTB/nonscc/sin
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%%DATADIR%%/DFTB/nonscc/sio
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%%DATADIR%%/DFTB/nonscc/sio-d
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%%DATADIR%%/DFTB/nonscc/sisi
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%%DATADIR%%/DFTB/nonscc/sisi-d
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%%DATADIR%%/DFTB/nonscc/smo
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%%DATADIR%%/DFTB/nonscc/snb
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%%DATADIR%%/DFTB/nonscc/ss
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%%DATADIR%%/DFTB/scc/cc.spl
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%%DATADIR%%/DFTB/scc/ch.spl
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%%DATADIR%%/DFTB/scc/cn.spl
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%%DATADIR%%/DFTB/scc/co.spl
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%%DATADIR%%/DFTB/scc/cp.spl
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%%DATADIR%%/DFTB/scc/cs.spl
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%%DATADIR%%/DFTB/scc/czn.spl
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%%DATADIR%%/DFTB/scc/hc.spl
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%%DATADIR%%/DFTB/scc/hh.spl
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%%DATADIR%%/DFTB/scc/hn.spl
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%%DATADIR%%/DFTB/scc/ho.spl
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%%DATADIR%%/DFTB/scc/ho_modi.spl
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%%DATADIR%%/DFTB/scc/hp.spl
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%%DATADIR%%/DFTB/scc/hs.spl
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%%DATADIR%%/DFTB/scc/hzn.spl
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%%DATADIR%%/DFTB/scc/nc.spl
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%%DATADIR%%/DFTB/scc/nh.spl
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%%DATADIR%%/DFTB/scc/nn.spl
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%%DATADIR%%/DFTB/scc/no.spl
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%%DATADIR%%/DFTB/scc/np.spl
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%%DATADIR%%/DFTB/scc/ns.spl
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%%DATADIR%%/DFTB/scc/nzn.spl
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%%DATADIR%%/DFTB/scc/oc.spl
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%%DATADIR%%/DFTB/scc/oh.spl
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%%DATADIR%%/DFTB/scc/oh_modi.spl
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%%DATADIR%%/DFTB/scc/on.spl
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%%DATADIR%%/DFTB/scc/oo.spl
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%%DATADIR%%/DFTB/scc/oo_modi.spl
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%%DATADIR%%/DFTB/scc/op.spl
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%%DATADIR%%/DFTB/scc/os.spl
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%%DATADIR%%/DFTB/scc/ozn.spl
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%%DATADIR%%/DFTB/scc/pc.spl
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%%DATADIR%%/DFTB/scc/ph.spl
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%%DATADIR%%/DFTB/scc/pn.spl
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%%DATADIR%%/DFTB/scc/po.spl
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%%DATADIR%%/DFTB/scc/pp.spl
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%%DATADIR%%/DFTB/scc/ps.spl
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%%DATADIR%%/DFTB/scc/sc.spl
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%%DATADIR%%/DFTB/scc/scc_parameter
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%%DATADIR%%/DFTB/scc/sh.spl
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%%DATADIR%%/DFTB/scc/sn.spl
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%%DATADIR%%/DFTB/scc/so.spl
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%%DATADIR%%/DFTB/scc/sp.spl
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%%DATADIR%%/DFTB/scc/ss.spl
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%%DATADIR%%/DFTB/scc/szn.spl
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%%DATADIR%%/DFTB/scc/uff_table
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%%DATADIR%%/DFTB/scc/znc.spl
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%%DATADIR%%/DFTB/scc/znh.spl
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%%DATADIR%%/DFTB/scc/znn.spl
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%%DATADIR%%/DFTB/scc/zno.spl
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%%DATADIR%%/DFTB/scc/zns.spl
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%%DATADIR%%/DFTB/scc/znzn.spl
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%%DATADIR%%/DFTB/uff_table
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%%DATADIR%%/DeePMD/water_dpa2.pth
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%%DATADIR%%/ECP_POTENTIALS
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%%DATADIR%%/ECP_POTENTIALS_pob-TZVP-rev2
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%%DATADIR%%/EMSL_BASIS_SETS
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%%DATADIR%%/GTH_BASIS_SETS
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%%DATADIR%%/GTH_POTENTIALS
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%%DATADIR%%/GTH_SOC_POTENTIALS
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%%DATADIR%%/HFX_BASIS
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%%DATADIR%%/HF_POTENTIALS
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%%DATADIR%%/LnPP1_POTENTIALS
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%%DATADIR%%/LnPP2_POTENTIALS
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%%DATADIR%%/MM_POTENTIAL
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%%DATADIR%%/MPC_POTENTIALS
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%%DATADIR%%/NLCC_POTENTIALS
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/README.md
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-1/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-2/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-3/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-4/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-5/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-6/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-7/weights.008.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/input.nn
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/scaling.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.001.data
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%%DATADIR%%/NNP/bulkH2O-jcp2020-cnnp/nnp-8/weights.008.data
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/input.nn
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/readme.md
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/scaling.data
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.001.data
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.002.data
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%%DATADIR%%/NNP/protH2OHelium-interaction-nnp/weights.008.data
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%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/input.nn
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%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/readme.md
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%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/scaling.data
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%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.001.data
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%%DATADIR%%/NNP/protH2Ocluster-jctc2020-nnp/weights.008.data
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%%DATADIR%%/NUCLEAR_BASIS_SETS
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%%DATADIR%%/NequIP/water-deployed-neq060sp.pth
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%%DATADIR%%/NequIP/waterscan-neq0.16.nequip.pth
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%%DATADIR%%/POTENTIAL
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%%DATADIR%%/POTENTIAL_UZH
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%%DATADIR%%/POTENTIAL_UZH_2026.1
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%%DATADIR%%/POTENTIAL_UZH_2026.2
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%%DATADIR%%/README.md
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%%DATADIR%%/dftd3.dat
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%%DATADIR%%/forcefield_section/H2O/SPC.sec
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%%DATADIR%%/forcefield_section/H2O/SPCE.sec
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%%DATADIR%%/forcefield_section/H2O/TIP3P.sec
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%%DATADIR%%/forcefield_section/H2O/TIP3P_FLEXIBLE.sec
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%%DATADIR%%/forcefield_section/UO2/Meis2.sec
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%%DATADIR%%/forcefield_section/UO2/Meis2_k4.sec
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%%DATADIR%%/forcefield_section/UO2/Morelon.sec
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%%DATADIR%%/nm12_parameters.xml
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%%DATADIR%%/rVV10_kernel_table.dat
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%%DATADIR%%/ri_rs_grid/Al_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ar_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/As_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/B_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Be_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Br_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/C_cc-pvtz-rs.ion
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%%DATADIR%%/ri_rs_grid/C_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ca_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Cl_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Co_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Cr_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Cu_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/F_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Fe_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ga_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ge_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/H_cc-pvtz-rs.ion
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%%DATADIR%%/ri_rs_grid/H_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/He_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/K_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Kr_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Li_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Mg_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Mn_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/N_cc-pvtz-rs.ion
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%%DATADIR%%/ri_rs_grid/N_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Na_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ne_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ni_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/O_cc-pvtz-rs.ion
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%%DATADIR%%/ri_rs_grid/O_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/P_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/S_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Sc_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Se_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Si_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Ti_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/V_def2-tzvp-rs.ion
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%%DATADIR%%/ri_rs_grid/Zn_def2-tzvp-rs.ion
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%%DATADIR%%/t_c_g.dat
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%%DATADIR%%/t_sh_p_s_c.dat
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%%DATADIR%%/vdW_kernel_table.dat
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%%DATADIR%%/xTB0_parameters
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%%DATADIR%%/xTB1_parameters
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%%DATADIR%%/xc_section/CAM-B3LYP.sec
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%%DATADIR%%/xc_section/HF-3c.sec
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%%DATADIR%%/xc_section/PBE.sec
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%%DATADIR%%/xc_section/WB97X_2LP.sec
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%%DATADIR%%/xc_section/WB97X_2TQZ.sec
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%%DATADIR%%/xc_section/vdW-DF-cx.sec
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%%DATADIR%%/xc_section/vdW-DF-cx0p.sec
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%%DATADIR%%/xc_section/vdW-DF-optB88.sec
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%%DATADIR%%/xc_section/vdW-DF-optPBE.sec
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%%DATADIR%%/xc_section/vdW-DF1-C09.sec
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%%DATADIR%%/xc_section/vdW-DF1.sec
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%%DATADIR%%/xc_section/vdW-DF2-b86r.sec
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%%DATADIR%%/xc_section/vdW-DF2.sec
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