Path |
Digest |
Size |
ipi/__init__.py |
sha256=tMGjWMbWtLZ4qpZTvhUQ1es2ulNBsshnlY0GFxe6Ycg
|
346 |
ipi/_driver/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ipi/_driver/driver.py |
sha256=w0QmVwdA8H9-999Y4_OpUd0ZA4bh1WzBS-BAq2odbiY
|
7206 |
ipi/_driver/pes/__init__.py |
sha256=iRstg-yWL9BQgxFA6yAeA7d0qypZhCcpPYhFLNNqC9o
|
1130 |
ipi/_driver/pes/ase.py |
sha256=An_t3hdreLn4dWKqnzVuKf4vQhCPEM0BqC8JtSt4_dE
|
2814 |
ipi/_driver/pes/bath.py |
sha256=BKLjUaiTZjK16o2jB_hEiktYdN4c6LZnLRzPPgUhlMg
|
2403 |
ipi/_driver/pes/doubledoublewell.py |
sha256=q0JN9b5Ea5-Gn4lr1AwF7Iqewf-DsvQZmjR4lli5DWY
|
4965 |
ipi/_driver/pes/doublewell.py |
sha256=dyCaTDqXTTishIx4sSBIxoP1rC_47NYelbGYZNnuums
|
2819 |
ipi/_driver/pes/doublewell_with_bath.py |
sha256=BIfG64UuTY-EAIWukSwt85iJApKHXYcE4Q6v0y1pxmc
|
3553 |
ipi/_driver/pes/doublewell_with_friction.py |
sha256=NOxgJLj4Kr2pYzEEej76Xd1BE_0N9RG5nHGZ1QCrFfU
|
3661 |
ipi/_driver/pes/dummy.py |
sha256=4fToAwYIz9VrombGXKsbR4Cefj1iZnjdUopYmacSTXc
|
985 |
ipi/_driver/pes/harmonic.py |
sha256=gDYF066y4EDIPDQ4CESwhFAF7s9E7Y4iuwfy1MvwUMU
|
1695 |
ipi/_driver/pes/mace.py |
sha256=06b5F36pI24BBFCRmCzg79TXWTvkiNNAZrIYRpifrT4
|
1062 |
ipi/_driver/pes/metatensor.py |
sha256=K0D5mUN9xysRFMbQILeK9WH37yyGAfvAqzxmrmnv_Fg
|
1462 |
ipi/_driver/pes/pet.py |
sha256=SIC-PGUBXKZr8HSqouvAUQTMuMsSm525FS2O-52_H9Q
|
2860 |
ipi/_driver/pes/rascal.py |
sha256=StryRujPwaZvMqyhYnJIS3-uczJaMgfEZnEliVkOpjU
|
2126 |
ipi/_driver/pes/spline.py |
sha256=_wo35p-BksTTrqFfCrldk_qKZhmXwWaPclborpZDa1c
|
3820 |
ipi/engine/__init__.py |
sha256=s7DA7jLQO4Kl4b8GcV4eD14ZKrigWTPlvT6aWETyHTc
|
419 |
ipi/engine/atoms.py |
sha256=m4OJOfC2uBevOuQnS7IEzbmWp7Q5AZpfdit8IUBxWa8
|
8936 |
ipi/engine/barostats.py |
sha256=sSECCnISEuiA7hdJiztxxD4XZkYEY8gAdHdncH5HfCs
|
49450 |
ipi/engine/beads.py |
sha256=yLt62sNCkxpOx_sPNFEFJtuIPxd-2eX-av7_8B82eV4
|
12128 |
ipi/engine/cell.py |
sha256=LyTL4a-kSpUnUQaKhg2EnrUM0PjQhPHVN0oI92rsJdI
|
3565 |
ipi/engine/ensembles.py |
sha256=P2LVdYJYjtTucvYBXQZUsTslzMj486OOmQ2LVewdWxg
|
9149 |
ipi/engine/forcefields.py |
sha256=zmLL_2liDOewwCaVNHx4bxvd_KFodtDKsSJKbPqtRZ4
|
66126 |
ipi/engine/forces.py |
sha256=tmZPld5a63bqt11MtvYlaPJOC8zuP-04pZuPjwgky6c
|
60035 |
ipi/engine/initializer.py |
sha256=ZAJoqG9SFzAMCgTyDPLj9kMV7z6SyBHjy919NVhbLdE
|
24867 |
ipi/engine/normalmodes.py |
sha256=fEMN-aI0z7xl6nbA2T2ynjU036l0AmG6d9Fiu6-h-jM
|
38618 |
ipi/engine/outputs.py |
sha256=WoFzMdf4PVvg619dPORvA1BW1ZGqNLhKMSK7meFNmzc
|
22964 |
ipi/engine/properties.py |
sha256=EwmgGfyv3HeNVU0WxSjfmOW1GksRXpQc-153OYs93jU
|
129875 |
ipi/engine/simulation.py |
sha256=2ptKAMSRs9sf2nPw2LSudY1AMmLh7CTahsshnP7q8aw
|
14255 |
ipi/engine/system.py |
sha256=wYqZdzr9uaeWk_4CyWQZv1TDWMn5BoflGz8tqC5pTlo
|
4048 |
ipi/engine/thermostats.py |
sha256=Ob2ejmf0l4PVZNWbzjzmuN8HNZH_RNqfuPsAjkFP52U
|
48870 |
ipi/engine/motion/__init__.py |
sha256=wMAlIYMS9A5yRKA6mGI4eKUQewFD9V4ej9HF-ub6pb0
|
733 |
ipi/engine/motion/al6xxx_kmc.py |
sha256=SR_QWurkrMZq7j5wWATxOsk_qbhoWeQTYq79Pv-uiOQ
|
26769 |
ipi/engine/motion/alchemy.py |
sha256=ERONoseezK7Sz-fVIAVb-7nBcwx3jUTWCpyWqQvc7kQ
|
5550 |
ipi/engine/motion/atomswap.py |
sha256=ZuOM0maWqgEwaLyXXPFMpN4Y8nffhWAEz7SH2nSLXpU
|
5003 |
ipi/engine/motion/constrained_dynamics.py |
sha256=fGlS8T2XGjMDIdgmmc75cqGIe5GJIS4Ke0SQjWsEcvk
|
18988 |
ipi/engine/motion/dynamics.py |
sha256=EeXyuxuAlcVJsz5PGDL9vFVvpQ5hLSRymVivJTV1ki4
|
28677 |
ipi/engine/motion/geop.py |
sha256=EJdY23iERygkbvozFy-1VbHJJRJNcsNZ3VRIyYXAgEI
|
35583 |
ipi/engine/motion/instanton.py |
sha256=j7XFJwikdMqcia0QlFQG0fmKDDVUfS4yLfl31rfxi2Q
|
70739 |
ipi/engine/motion/motion.py |
sha256=a5TP0kmMm9zELJ1BTx2QkC1PbdfMnbgHbfrmRRUDecQ
|
2965 |
ipi/engine/motion/multi.py |
sha256=ehRKTF8M5-0QurghBW9_p5UpgGyAbqbXqJxGUO-cNHU
|
2629 |
ipi/engine/motion/neb.py |
sha256=BzA_S-G_EamuegzoIKBoqr0EDXGZRUuWtcD3p7LKOGQ
|
40613 |
ipi/engine/motion/phonons.py |
sha256=JRsLuZGSWCmwRRvJSQ8r3V0dCpo_eJFPlfUjAjgGjKQ
|
17011 |
ipi/engine/motion/planetary.py |
sha256=PLXi1r02X_4dxj2zbabbUuIrHABbAR_6Py6UNEQNIwA
|
9950 |
ipi/engine/motion/ramp.py |
sha256=hxa07_DHkCIbgFmAdF4xGrIWKftRtAEIcIM85HnIPXs
|
3218 |
ipi/engine/motion/replay.py |
sha256=jBYGTWIxMuej8-MaHPu9AY6QHBwPvBVPHCye0wXusU8
|
7345 |
ipi/engine/motion/scphonons.py |
sha256=xDvsaIoeyaQqJFqXQ_njVdcyiH4DRcafTzyKNH7QhW8
|
33628 |
ipi/engine/motion/stringmep.py |
sha256=R3HiR-FOFKrRaWgIKVZRJwL_dK9hy8lkc3KBTy55zQE
|
60817 |
ipi/engine/motion/vscf.py |
sha256=jkMSxNcATzL2ipDrw5TuAUaHU4G3OqXcgyvNi0Lr2jw
|
56470 |
ipi/engine/smotion/__init__.py |
sha256=d21YKRDk-jFYm9pvjDzN-KENAxTnrT27MV8zBKH09KI
|
296 |
ipi/engine/smotion/dmd.py |
sha256=SEX7vs8JcS0o69cS0LpyU6OByAelEOuQ0g5Q02wvPAw
|
1775 |
ipi/engine/smotion/metad.py |
sha256=4xWIGyCw_Qa0n89yA4KpnSni3krzpR5VIaj8l1N0BLo
|
3988 |
ipi/engine/smotion/multi.py |
sha256=7YJHv0oedW4ov3zwc653-9V8NtpTddNb7GTxtS7bajc
|
2351 |
ipi/engine/smotion/remd.py |
sha256=flff3M8-KsD3hDD8IE9WJmAOi48GyNAj1hWXJ6Pie5U
|
8316 |
ipi/engine/smotion/smotion.py |
sha256=LtB_n05jaOIwI-6vdMyrcaDQqlEyVQ54ljBb-AbEn98
|
1560 |
ipi/external/__init__.py |
sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
|
0 |
ipi/external/importlib/__init__.py |
sha256=GdIcBiKxBbrWVuG4PPNiHmhU1Q7nLeFFNn_zK76mSCo
|
143 |
ipi/external/importlib/bundledimportlib.py |
sha256=MjDJ3bZvUQr2ghuz5WvKPc89NYzv8t64anioJXfgxHI
|
1298 |
ipi/inputs/__init__.py |
sha256=WPkZzq61iQ3xTe0iwCjCAGIadCil8Y9vdcy2c_myWkE
|
452 |
ipi/inputs/atoms.py |
sha256=Q9XX2jVRwFdQzME6a3HKpv3EGYIf4fqjRXgtUeZKCG4
|
4339 |
ipi/inputs/barostats.py |
sha256=JQSi6BhB8ZdlXgnYn50p5sXABMF0ZKfj5hhmuWp5e68
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7337 |
ipi/inputs/beads.py |
sha256=ppUor28WdowfhqDcfxn39VqJ3WS6CRpnRzNGGVYJVTo
|
4869 |
ipi/inputs/cell.py |
sha256=i1kWr2XSw0SUMmpFbYYT130_ivVSEI8ymdu3C_KLlek
|
2160 |
ipi/inputs/ensembles.py |
sha256=-j-hYUEAx8FxAUR_N4MFoBYHQ5_UHimBu7QHhMTmLQI
|
4581 |
ipi/inputs/forcefields.py |
sha256=MI9ELzPr4I0uT6W2GHFiz8PZPTJEMPvouFn9NHhJ2MA
|
34834 |
ipi/inputs/forces.py |
sha256=NJ1GmtrXNYc_IbNEW6hWZN-de_IrPOBY0HLfAcTBMtk
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6596 |
ipi/inputs/initializer.py |
sha256=InsfjU-91wTbHsgZqGTfYbOe1-k1ls6fdi9GQdIVxQQ
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19136 |
ipi/inputs/interface.py |
sha256=-_zcR65KulQcCSj0Z1FrOeaEdjmTrM2DWBCdbb6DlZs
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5656 |
ipi/inputs/normalmodes.py |
sha256=upAOacGhCwGCY0ccnLhkyom4xoYvcdx0jHMxdNxAQlk
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8417 |
ipi/inputs/outputs.py |
sha256=qDWs2v-74NJtEJqZ2qiVojD1E8PvUEdyg5RQ96BaXG4
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16059 |
ipi/inputs/prng.py |
sha256=f-RoOmVugpy9SGPvjpM4QtI8k0AXYJZ1uzFHdBplRCo
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3006 |
ipi/inputs/simulation.py |
sha256=K5UBdKr6ZELSS2cuoAFUUt4FZpmhV-AyTHGHPqTeYTs
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12772 |
ipi/inputs/system.py |
sha256=hUXskuknQAwjPtdYg9hf9C4rYoI8cl4lNaPPE-3Ix4Q
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7592 |
ipi/inputs/thermostats.py |
sha256=4qtNQJ3tdfZNgmzav1KRtoSdGx0J4APAjb_y7NuK0BY
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15028 |
ipi/inputs/motion/__init__.py |
sha256=TlJFFAQJa46F0FuFQmevGN1ffeMrZnyhH_QISLlQLfk
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ipi/inputs/motion/al6xxx_kmc.py |
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8461 |
ipi/inputs/motion/alchemy.py |
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2549 |
ipi/inputs/motion/atomswap.py |
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2583 |
ipi/inputs/motion/constrained_dynamics.py |
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11203 |
ipi/inputs/motion/dynamics.py |
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4475 |
ipi/inputs/motion/geop.py |
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ipi/inputs/motion/instanton.py |
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ipi/inputs/motion/motion.py |
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15874 |
ipi/inputs/motion/neb.py |
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10612 |
ipi/inputs/motion/phonons.py |
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ipi/inputs/motion/planetary.py |
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4311 |
ipi/inputs/motion/ramp.py |
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ipi/inputs/motion/scphonons.py |
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ipi/inputs/motion/stringmep.py |
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10303 |
ipi/inputs/motion/vscf.py |
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9019 |
ipi/inputs/smotion/__init__.py |
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ipi/inputs/smotion/dmd.py |
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1740 |
ipi/inputs/smotion/metad.py |
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ipi/inputs/smotion/remd.py |
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ipi/inputs/smotion/smotion.py |
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4820 |
ipi/interfaces/__init__.py |
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ipi/interfaces/sockets.py |
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35372 |
ipi/utils/__init__.py |
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ipi/utils/constrtools.py |
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19377 |
ipi/utils/decorators.py |
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ipi/utils/depend.py |
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27762 |
ipi/utils/distance.py |
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ipi/utils/exchange.py |
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19832 |
ipi/utils/hesstools.py |
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ipi/utils/inputvalue.py |
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49594 |
ipi/utils/instools.py |
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ipi/utils/mathtools.py |
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ipi/utils/messages.py |
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ipi/utils/mintools.py |
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ipi/utils/nmtransform.py |
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ipi/utils/parsing.py |
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ipi/utils/phonontools.py |
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ipi/utils/prng.py |
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ipi/utils/softexit.py |
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ipi/utils/sparse.py |
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ipi/utils/units.py |
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ipi/utils/io/__init__.py |
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ipi/utils/io/io_units.py |
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ipi/utils/io/backends/__init__.py |
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ipi/utils/io/backends/io_ase.py |
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ipi/utils/io/backends/io_binary.py |
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ipi/utils/io/backends/io_json.py |
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ipi/utils/io/backends/io_pdb.py |
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ipi/utils/io/backends/io_xyz.py |
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ipi/utils/io/inputs/__init__.py |
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ipi/utils/io/inputs/io_xml.py |
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16754 |
ipi-2.6.3.data/scripts/i-pi |
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ipi-2.6.3.data/scripts/i-pi-committee-reweight |
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10866 |
ipi-2.6.3.data/scripts/i-pi-contract-trajectory |
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5179 |
ipi-2.6.3.data/scripts/i-pi-driver-py |
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7192 |
ipi-2.6.3.data/scripts/i-pi-get_Ascp |
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ipi-2.6.3.data/scripts/i-pi-getacf |
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ipi-2.6.3.data/scripts/i-pi-getproperty |
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ipi-2.6.3.data/scripts/i-pi-gleacf |
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12975 |
ipi-2.6.3.data/scripts/i-pi-kinetic2tag |
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3485 |
ipi-2.6.3.data/scripts/i-pi-mergebeadspdb |
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ipi-2.6.3.data/scripts/i-pi-mux-positions |
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4958 |
ipi-2.6.3.data/scripts/i-pi-paraweights |
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9152 |
ipi-2.6.3.data/scripts/i-pi-planetary |
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20051 |
ipi-2.6.3.data/scripts/i-pi-posforce2kinetic |
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4611 |
ipi-2.6.3.data/scripts/i-pi-py_driver |
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7192 |
ipi-2.6.3.data/scripts/i-pi-remdsort |
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10003 |
ipi-2.6.3.data/scripts/i-pi-style |
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3660 |
ipi-2.6.3.data/scripts/i-pi-tests |
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1910 |
ipi-2.6.3.data/scripts/i-pi-trimsim |
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9233 |
ipi-2.6.3.dist-info/METADATA |
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ipi-2.6.3.dist-info/WHEEL |
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ipi-2.6.3.dist-info/license_GPL.txt |
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35148 |
ipi-2.6.3.dist-info/license_MIT.txt |
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ipi-2.6.3.dist-info/top_level.txt |
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ipi-2.6.3.dist-info/RECORD |
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