kups/__init__.py,sha256=6mmV-lfhVZCc0GUP9suU3EKs43PLCyLh16jOXT-u1LM,138
kups/py.typed,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
kups/application/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/mcmc/__init__.py,sha256=vHucG6fauWAWcCZeRFb5QyvmmmbWqM3T9rG8aMA8dM0,802
kups/application/mcmc/analysis.py,sha256=twxnajL6ckDKPQkyTss_wtRPjdeL35eaGgKVko0gpLU,16061
kups/application/mcmc/data.py,sha256=NqegIt8jVbqgqrtfKgMSp78KJamOEn_2fzfE0cVeCY8,19671
kups/application/mcmc/logging.py,sha256=mgzRAk7oE_68GfEQ_I6nODwkVHqbNf2nar_HwzoHqqA,8527
kups/application/mcmc/simulation.py,sha256=vl4vxjhqVHj6Lf69nDqP5n91EK2nMvgY9umtnGHpwPw,2068
kups/application/md/__init__.py,sha256=Ls3jmd4W4u6185fIis7MZfFDT7cLo66lB63-hyjoBo8,150
kups/application/md/analysis.py,sha256=8wIlW_Cv5FxyX4duhxWi-Fe95d5TqOH056BcxhGDXpM,8040
kups/application/md/data.py,sha256=E_0y6cXrP8DES3N16tbDcMNyDrc5mNTtMMtRbhyKT0U,15510
kups/application/md/integrators.py,sha256=EfBkaGvQjingBefPxjtdpq6aP0xzmRq448aVFHRwmos,9487
kups/application/md/logging.py,sha256=B8rnFSlKBRmyY8omeJunbyXkiJcTS7Dk867dQkzTLJk,3038
kups/application/md/simulation.py,sha256=VFsIToTbQjGBzqmvytuIp2sd1mLDGXoph-cpph-brMg,5453
kups/application/observables/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/observables/stress.py,sha256=lsxeKZX3c-qZ6cnvu4AXDfxzuXVMnz2Bgx7ozBjjACk,1484
kups/application/potential/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/potential/filter.py,sha256=O3Mb1hEP8HnDn0iM-7g6PMxDik0ye8KMgAnClp6Q9cw,3575
kups/application/potential/classical/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/potential/classical/blocking.py,sha256=7QYwf9g_VoB-ZNSJFg1Kg0A7i3-2x-4vq_V9J6j2lHg,5063
kups/application/potential/classical/cosine_angle.py,sha256=zAvnTleAY02cRTWOE1AObtcRVch6an1wKm4C7JDGMBA,7775
kups/application/potential/classical/coulomb.py,sha256=0TNseL2baf9Ky5NE_sTNNiwHv90XpB8Fcjwffa-ZChk,7410
kups/application/potential/classical/dihedral.py,sha256=_nLL8dmVvr9DivcqPLqnAwohG0-LeViHnwso-vf7LXA,7598
kups/application/potential/classical/ewald.py,sha256=TAKTgX73W9moWbBEN9qmbhrO6mt5R6i9jXxITnWKKvA,9087
kups/application/potential/classical/harmonic.py,sha256=3YmZp4xjydHsPSJA-JHaK7q31uX2h11bjdSvirAW6oM,15305
kups/application/potential/classical/inversion.py,sha256=UBGRTy-ALDXEo6sRysRnFfJMCzFDH3cKrmhHSwTnORc,7719
kups/application/potential/classical/lennard_jones.py,sha256=F1E3U-Y4CGh0jELKha0f5jumLqhuJJNLdddQCJgN3BY,12320
kups/application/potential/classical/morse.py,sha256=hFjCyBbdkxVU_i10e14haR9jBBF6O4qVWvalsIIoYmg,7676
kups/application/potential/mliap/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/potential/mliap/local.py,sha256=1ez23QElddvwYxNYt2ARWEWrR73yrBFjbRUpAsqlW0A,8846
kups/application/potential/mliap/tojax.py,sha256=iQzm1oLV4CPUnAIK0niwmwPaKX2A7MSaeJOerAWRbqg,4575
kups/application/potential/mliap/torch.py,sha256=Ar8eC9ZiU8GsSPhXOyuWOhfy38hXrFZvOHfMU4GpVeU,4774
kups/application/relaxation/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/relaxation/analysis.py,sha256=QAlFRKEnPkYqzXs5qIHleIj0smyhSgJnblYgm-19SDc,3262
kups/application/relaxation/data.py,sha256=XTnLvxy78YjfCOQOxou-Sr1_--VdQOZF2FNvFKLJTrw,5130
kups/application/relaxation/logging.py,sha256=1to5F7XNfr7E75sFFNkEn0MplvcEgr_j9_folS8UpT0,2619
kups/application/relaxation/simulation.py,sha256=KnbwwC_npfbjAhIVnqqr8Ju3S8bNOK9ESMAKmoPJc38,6531
kups/application/simulations/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/simulations/mcmc_rigid.py,sha256=u9qUIpV1vRYGoKiIxmv3o5FDUlTUAnOFSg9xFpm9GyI,20299
kups/application/simulations/mcmc_widom.py,sha256=OTPLdYxzk7lTLyjsS9gzO__YqXO-wvmr8yF07WC7tr8,13321
kups/application/simulations/md.py,sha256=SGDY5pMp76guCsZvc5jX5Ge_4tM8yZxMM2kPUrHK8Rg,3579
kups/application/simulations/potentials.py,sha256=S_5RxHHlrRmQBKQ7YDpKfkngQBTFXYt-bOBkwaGDbBg,5899
kups/application/simulations/relax.py,sha256=BHNK89MkS93X3T80V067c5A_gZfaB59krKjRXaNF1n4,3711
kups/application/utils/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/application/utils/data.py,sha256=ol6F_Kx1UHSZRQzSV5IF_3Ztf1rOsALvVwBnIjkX-PM,1782
kups/application/utils/particles.py,sha256=_bVlcoYxtZ7un8OADEON1FCuhdpPNq2A2K1f8vfV1uU,3987
kups/application/utils/path.py,sha256=6o0STB-s9DEEB-D7497pKG8oDf88GVVEMoqGcDFgPFc,2399
kups/application/utils/propagate.py,sha256=EImUcgL0ioFc-1pS_9_xQxJmfxq8rt76jKtjHw8NII8,3203
kups/core/__init__.py,sha256=XyOWGQe-8ICtkdUC-rKedCk7zjJJ-E3wTwnQkxKgQZw,3015
kups/core/assertion.py,sha256=D4QbCtWSIPMBlQ-2JTE1D8mDvUGIhLRuixF4j28_umw,28914
kups/core/capacity.py,sha256=XcpXtlSZDb4EupGZyr9skua0KEDhtgwqHcv0HaRjSD4,13104
kups/core/cell.py,sha256=phbCAq_F62zV6jhlxzm079qFByhHU4XMqPeIyiYWN-s,50543
kups/core/constants.py,sha256=PMdw7KCx0zjpCjKQLxq6nJmzMa6MiHIBXj8bu0wXH3U,2260
kups/core/lens.py,sha256=FgM1DDxP_-SMtSquKh49C9IeIOF4k_-IePbOd8z0074,51309
kups/core/logging.py,sha256=trZ7R10QnwdUWD7IZ9nzU3359e0kkN2E-N9B7GOVTsI,4485
kups/core/parameter_scheduler.py,sha256=eB4ALCWjr6FhLuPaZ5rfloqIj61XAjWFqsxGYCFMFzs,7988
kups/core/patch.py,sha256=Wl8FdfXen6Gy67fzNAn5OrwODpyTPUiSaltyyUVOmAI,7752
kups/core/potential.py,sha256=Oyaph5If_mQ8I6dDNYwYqEOsucbUBmsc9P5a6PJJA4U,25387
kups/core/propagator.py,sha256=YZydlQpfYM7OMWh3bCaau_R2T0ElZYENkcHfnfLVWKI,25945
kups/core/result.py,sha256=qUJFPHgFKvf3NJUKhFriBAALx3M0y2885IgQ9wjT2xE,5813
kups/core/schedule.py,sha256=CE8H4OEpAqkJHzVDFDpFBxFTfc4RDBmRsG-YwPUrPPY,15440
kups/core/storage.py,sha256=M25M-nlpQtqbpXua-SQ9T7KT0E1G69H5HWV_VtZ8C9s,29458
kups/core/typing.py,sha256=wQtUs_RogJEqaMKmzFXY4AxqM4O5jTKQzvzOBW1JnbM,13419
kups/core/data/__init__.py,sha256=-s3ZBxFB6WwP2rQXtGkRCPZWmP0OWUsSLRtrIGhRURE,564
kups/core/data/batched.py,sha256=FL63b-HjU_9PD3TqVt2gMND41ctTK4oT9ugiTHvayPg,2761
kups/core/data/buffered.py,sha256=WxygvHCntbo0AhhU9al77fWIz93VHlnbQSweP9T07LI,13059
kups/core/data/index.py,sha256=ntfhqMiWsUPoKgBFeugPyg2wjy9hYsCla80sc6kb2_k,29958
kups/core/data/table.py,sha256=TlGE2rbDwx_mrhgMI-a5Dupsrc0XiHdj5s1pPMIjhxs,33289
kups/core/data/wrappers.py,sha256=8GI5ucxaZRG56m2fGnX93wPpi_uKWjZPNbE-LATvS-E,1247
kups/core/neighborlist/__init__.py,sha256=g8_DL61wHDslCM5QePtbMzuNMNMPv_4o-RQ16Yg2q3g,6394
kups/core/neighborlist/adaptive.py,sha256=7P89qHb23JNdiJ1kB-1nzvDbZf-9Mfn9EXOsMMVo_t0,7250
kups/core/neighborlist/all_connected.py,sha256=NVX9SccIHRh3l5qAuEFB8V4VaPZHcZokYS-ctTVqP_Y,4604
kups/core/neighborlist/all_dense.py,sha256=xkYLWqyGpZIMs0w4IWMM1sgwqB2j-QmmjOfqrmGr_p0,6729
kups/core/neighborlist/cell_list.py,sha256=-08y6_KKmXvIFQyxyBCrvYr5Gk53F7dPEs80TYcu8kQ,13024
kups/core/neighborlist/changes.py,sha256=t1htJLdoMPBG9G7L86sW2f2LhgU_c-uO-FmBmC3CKLE,5136
kups/core/neighborlist/common.py,sha256=apkEQI2glLgH_BojP6kknmPFVKJemkKY15JzM4BmLDk,15185
kups/core/neighborlist/compact.py,sha256=oYubBjWTRtObzykVf7lHbjSKHF44S6_Lz4XWDkb1IXw,2782
kups/core/neighborlist/dense.py,sha256=rO7KEXy7gpBEI5FXXRqhwKoOLbQDAiRow8Ih5VxvKcw,6921
kups/core/neighborlist/edges.py,sha256=7O8fvs2HYjrTCVj1fnOVzWH6pF8nC9GL8-md9_ibZjI,4509
kups/core/neighborlist/fixed.py,sha256=L5EoPi8plPZII2K9fRhIRozvtR_OHfvjquCy1p7kspA,6854
kups/core/neighborlist/masks.py,sha256=KobjtPaVGEup3daL5qTAEEXgSw0jEFyeOs2Fg63kvJM,5965
kups/core/neighborlist/parameters.py,sha256=gzGRbF0vGkDj23H1kjsoOUUHpWMaDvD5zkDQ7Zd-yK0,5713
kups/core/neighborlist/pipeline.py,sha256=jmUmCV1eawN_sMqi83Rw8kLw0UGn1MW67A0TsLr8TxA,3974
kups/core/neighborlist/postprocess.py,sha256=SZabc23_plJVe-l0DtqdfJvCKa7d5E9XkrutFkOPA2c,1983
kups/core/neighborlist/refine.py,sha256=BSXYFXpdZkRoqSYAoUfaAg6-JlYG8e01oTTOGyiXX5I,10241
kups/core/neighborlist/types.py,sha256=6EeFlu7gvqNc0oB39RDqIA9FuuP4m6Sqvbxum-ZhuZ4,10575
kups/core/utils/__init__.py,sha256=ctiAc9zcjxLnmGGnNHtP2t7dQUG1NlUOLi5zicsyqw0,1056
kups/core/utils/block_average.py,sha256=TGRfYogBhr6BnUn2uVTv4k5A-SW0wg3QSl6vvJTYDDM,10726
kups/core/utils/ema.py,sha256=s-LlfTKbkNMY3B6NKsLqybQEHbpSsi0VDYl_aYFfkxU,3517
kups/core/utils/field_handler.py,sha256=__QQCMWqPQtQAOAxrW_so4qB2oTa8cc2Z8yCX4a27rQ,4441
kups/core/utils/functools.py,sha256=jNYyN60ldnAwIJJpuH9EsVuXPzkO3M16EY1-0ku1lZs,6934
kups/core/utils/jax.py,sha256=Z7DnPpJne1OWkG4_KZ5RJYoLbxc4E_bg_KFIhEBcNh0,40889
kups/core/utils/kahan.py,sha256=lPTQpJoerh2pv3Z9qCIf7Dw5AgoL7CCWNTB3II0hwHc,5684
kups/core/utils/math.py,sha256=Sm_QNe-fx0xUovxdDYgK5XoEratIzj3-FfpgtoIc3Lk,23760
kups/core/utils/msgpack.py,sha256=bU5G8nS1vM3CuYag3vAbbDCke0XvvwIs2mpjpRTc-z8,1726
kups/core/utils/ops.py,sha256=CNX-tl3DDuDDrR1eAySXRovvMylq_h3Ydw9UPcMqrSE,3694
kups/core/utils/position.py,sha256=clk14iPN3NVdQE4tEcWT_slceo-iPGjtk4TmKF5sU2o,5695
kups/core/utils/quaternion.py,sha256=fKMwW2osAyr4s68828abnNv_sPpODG4dtxrhe2WXDbI,8937
kups/core/utils/random.py,sha256=goVT14QSojfdj6bE8O_umQzYZ8jbfH5Ol2r4FaPm5u8,1285
kups/core/utils/segment.py,sha256=iJuJAdC1tNnvidFj3_0sjsnXnCa9eUzvx8Xv67ZH3ik,23737
kups/core/utils/subselect.py,sha256=IsRzl2Ug0ADQoqaePRrUFKW0GCevzZto5PZ71PODQyU,3463
kups/core/utils/torch.py,sha256=PwfmP6gjTnWaOmJ8iq9n3f_Sb-pNdDs6Pt8k7zQvNyI,21514
kups/mcmc/__init__.py,sha256=fjh8FUHr-FT1F6fSeyFUrJL0ZZLUP1_wKhxkjg6Oh9Q,1773
kups/mcmc/fugacity.py,sha256=9fENtwKva1bowXOoWaj-AkfmDa0lYSitlvyT_1E8R58,7503
kups/mcmc/moves.py,sha256=Hp_qBrb5h4UPdg3R5XNxpk6ZRsuQc71-rBzid88xHho,45705
kups/mcmc/probability.py,sha256=TJDDRqBjC0Pbd37oFpt2dRUKcZ69dl2ZTqfVMGvh9GA,15487
kups/mcmc/widom.py,sha256=IEE4ffI3CdpJbtniyAdVPpeShYtYEMRnC3FYnveMYWE,5840
kups/md/__init__.py,sha256=6s-kkNfpIzptC4TMmMkw3HHfh0vNl2k5sZ8dbgEQgpY,123
kups/md/integrators.py,sha256=Jj6vYjOu5YRojZopte1xrKZHy_jnoir94XDhiTgFbYE,51893
kups/md/observables.py,sha256=Ar8R5eTsQJfN87kBVQMyVrppbKjTgQ_YVgqAvLeUkSk,5753
kups/observables/__init__.py,sha256=zXLvE7g6RVlaPSQo87m7UHid_ydGHkDBSLXh_BOjRW0,2700
kups/observables/pressure.py,sha256=y7CXqr8qJlwWwmA2tmNEOiljet5hIoFVdIaOvI6yvC8,1676
kups/observables/radial_distribution_function.py,sha256=lN9R3ZYDz688zJVPgYLBlQLZgC7yURkoznFEFrP2ROU,11914
kups/observables/stress.py,sha256=FkQDRHZvBYngwt6uKXBKn5V4kLx2LBLhetvPB4kL_Nw,9442
kups/potential/__init__.py,sha256=Hb4bqfAFQbMapMHY46VxXBHrf99EINuY9YmIjWvEcO8,1321
kups/potential/classical/__init__.py,sha256=WdLxjyJ6hfc5ZYkcU6_o27vv8FjTp0R21Iosf3m9_wg,2937
kups/potential/classical/blocking.py,sha256=9uG5poV0Ass-VycCCkz7SRdmreu56loBjX4TXfR5h1Q,12912
kups/potential/classical/cosine_angle.py,sha256=Y8vy7mUvuPKau_il_krcG5zxkoQIoF0wGMFUGs2EXzI,9582
kups/potential/classical/coulomb.py,sha256=7hG4XeZ-RSPA_jeaaW9DgvGn-JDWhSEio-KWicTpvIM,5183
kups/potential/classical/dihedral.py,sha256=4bVBZn-JFhikpVk9gPrrIWTzxgzld7zgcx8sO3JILyo,11834
kups/potential/classical/ewald.py,sha256=mc8nzP-6YYihUYqHav4PdhtjQgc1X0DLqV-KFP3gSf0,45655
kups/potential/classical/harmonic.py,sha256=x4QnpJYDoyODEvmRIn4rcmp1u8uinN4i-XRVkuvSKP8,10106
kups/potential/classical/internal.py,sha256=A6ca0Tu1LY0XCqkE-0YV3lE6xCeQO65V8DCebGt0JIE,3823
kups/potential/classical/inversion.py,sha256=ARA0NwHfO8rL0OdrtmheBUhEh6Duzcoq3WQ_oxrMMIk,8905
kups/potential/classical/lennard_jones.py,sha256=dIN5N_goRItMOYikMfivHTpqs3vubZ70qN7RkmDkTRQ,17469
kups/potential/classical/morse.py,sha256=rQhEsT5mf3VBUSIFYuIvKQqw-xuak5muszg_KSHlBSQ,7733
kups/potential/classical/uff_utils.py,sha256=pk6vCK17KmfcEvqXCoGCQHtQ7M5BXeiVpRUvgrep4vs,1313
kups/potential/common/__init__.py,sha256=a4jB_ctP6iBONlznXE_GZCj5rSx8FJhyMJiA9gtX_ks,979
kups/potential/common/direct.py,sha256=uk34qyFM4Zo9Ye5WxIsiQHykgTXr4rlqAkm8-yRNptM,4542
kups/potential/common/energy.py,sha256=y5ZqtkW6uVGkAVcbhv1pjDnoY0W3XQXkLoP-m59dXc0,14054
kups/potential/common/evaluation.py,sha256=9hhZM9hZXGFXCpQlgr08QjH_v3Q_jfUoSxy9OFU0iuY,11814
kups/potential/common/geometry.py,sha256=xb4Qn-0yRI0-AzZZlndmw3qF6qwW1mvHO5dZEbWgXzA,2462
kups/potential/common/graph.py,sha256=XChr8aV0SvmX944_7c5qmUFi-DgKhT525zf4yLr1og0,11453
kups/potential/mliap/__init__.py,sha256=WqRjLeAZ8KEQfcskhLnmMVHEsD8Gyf2T4OY3GehCZeU,994
kups/potential/mliap/direct.py,sha256=cD7PBq_Txk8ygh8d3VPyu2_8qlIjye92uR0hZ8fYmic,6364
kups/potential/mliap/local.py,sha256=eJSIY9AdtnU0y23dQ0fTm9i3Ox9DglmdkRAD9sgVdPs,20475
kups/potential/mliap/tojax.py,sha256=E8WI1cn0amvrjbOPJWG0iI6OH2scD7jM8l7h5OOH8No,7320
kups/potential/mliap/torch/__init__.py,sha256=Op58ic6OjGCGtohZbvjexdGayVJr2PpLr-q8_uq5pj0,1678
kups/potential/mliap/torch/interface.py,sha256=C42tavz87_6lluBvvgrkH_J_XN6llI2G20rYgcQgcfs,17229
kups/potential/mliap/torch/mace.py,sha256=gz2rPBbZzRWiRLnlC7-JYo-AcpfYiZ5vepr79ggH-OU,9638
kups/potential/mliap/torch/uma.py,sha256=W6bLPFbduAlv_T7BtqNqd-eGqzGOSIkgAKuzzgFBAsk,14561
kups/relaxation/__init__.py,sha256=6jsiOfjIOQ4zn7vBb264SM3KiE8gAyKiONnqNUQ-5hE,68
kups/relaxation/config.py,sha256=PQp4tleIWRG_cA4vavG2Hu4lZGEIsaG8uRCHrG3nUJA,4231
kups/relaxation/optimizer.py,sha256=0wqXV3F8D-6c8iMuKwXNba3ygOZ6q8i4IFF-mJKInc0,2682
kups/relaxation/propagator.py,sha256=mh38jS7TX_5zR8Rfg6Lq19eSCbEl0nHrLpsNFcQGR48,4535
kups/relaxation/transforms/__init__.py,sha256=KQBOk_CrrYWqJ9xTSHvRD0QGic8kvQiAKk2HzCziwJg,1375
kups/relaxation/transforms/_segmented_tree.py,sha256=U5qfAahRWryG6JJxtvSzLW5DU7lNSvWgV6bFeiRYuIo,10534
kups/relaxation/transforms/clip_by_global_norm.py,sha256=Q7Yw3jq8kjcUo1kHTt1Abv-FG_4mNw_TRlZUuOtJA50,2717
kups/relaxation/transforms/fire.py,sha256=7Q-yXSSwlNxF_Wl1GnyCKunMT30Ne8tqJvY_pa5cRFs,9467
kups/relaxation/transforms/fire2.py,sha256=XpeIIb97f_m6MiOgMH0uu60zhQaMwCYC156p_j6Y0co,13261
kups/relaxation/transforms/lbfgs.py,sha256=UghoUx3DdWFC9KHsJOP6mZ-0haSbUbfJG8AhhMR-XlU,11362
kups/relaxation/transforms/linesearch.py,sha256=tvVL7apQV4dH-z27KNfTrAJz12wAQKyyem7TBUc7nsE,22489
kups/relaxation/transforms/max_step_size.py,sha256=MJOZ-YA7J9tw0W5aNJTbbMEj_Umwd70qq0G3tsBS1rk,2922
kups-1.0.5.dist-info/METADATA,sha256=s3_lDVGPmdG4RUFHpIyRAbCVLFO_Hd1tgpPl9c_cUeo,6033
kups-1.0.5.dist-info/WHEEL,sha256=zOwg4jB6zX2kU910N-cMawjivD6tO8NEWvE12je1bVk,87
kups-1.0.5.dist-info/entry_points.txt,sha256=ZY_JiQqEQE4CQWGAPippOtQluH1_iv6uT8RRSzr4r4Y,244
kups-1.0.5.dist-info/licenses/LICENSE,sha256=xx0jnfkXJvxRnG63LTGOxlggYnIysveWIZ6H3PNdCrQ,11357
kups-1.0.5.dist-info/RECORD,,
