MultiOptPy 1.20.2__py3-none-any.whl → 1.20.4__py3-none-any.whl

{multioptpy-1.20.2.dist-info → multioptpy-1.20.4.dist-info}/RECORD

@@ -1,15 +1,15 @@
 multioptpy/__init__.py,sha256=OJ7BAhHT2pWsIdC5wZfhCA5J8zW-odvaym9ySpPZ3Hw,125
 multioptpy/entrypoints.py,sha256=rizxMJSbFq2aAKpcsPIy1CTIh_ZCGkDpCEEkvMOy6uc,39130
-multioptpy/fileio.py,sha256=h8Giu0PynS7JcHdaIPDMX_-okOoT3Mof9CkOMylJAN8,26861
+multioptpy/fileio.py,sha256=BJVhls9P_GU-ZB_nZgTgUPejru8-lJ1Qi-typHsG0WY,27175
 multioptpy/ieip.py,sha256=7zjvxW76k-5-tdgCpW0u4QzQBQtrLkcTYzNauhTX0qA,16182
-multioptpy/interface.py,sha256=DRmHToCin6L7aBJulxMExagm5zTcHno-KzXtbYORWw8,81737
+multioptpy/interface.py,sha256=t0wzrHhMxn4gV65NHoQ4_zbAVd6tCX0U87Z6sjvIXXc,81835
 multioptpy/irc.py,sha256=lTb1atfC5_QgW9a7FqQC-e-CXlTEhi1lms-zie_dEhI,20777
 multioptpy/moleculardynamics.py,sha256=FGA2fulBbNx26gCUSoauaOMoT0dIIddemXEiAoHC6p0,20359
 multioptpy/neb.py,sha256=eQQsB8HrDOZ4rlvHOUIwfR52QNDvuhvH1am5h6K7Ho0,59339
-multioptpy/optimization.py,sha256=ww_i07Q9vfinGD0yTmqKq_HM1zAdc3t2_JrD3a_uG8c,80628
-multioptpy/optimizer.py,sha256=I2wc0BfIStcjhh88A5bemFnTa_fWPJ3vVfsP8C7UuEY,32547
+multioptpy/optimization.py,sha256=FBMueS5ChGCZvCHsY7S8hCLf4nrWvjNMcEfWfj8vIdU,101480
+multioptpy/optimizer.py,sha256=Nm6uDEMiv9u5_CPdhQYqGzwmCqHNzDIdYeYIn9z5EwM,42047
 multioptpy/Calculator/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-multioptpy/Calculator/ase_calculation_tools.py,sha256=2hHp2JfoToeo3dSQlQZcbCCEgkLDbW2zGwmBabTmvLA,19692
+multioptpy/Calculator/ase_calculation_tools.py,sha256=gJsqUhv_JVv5_OrHbOD3IvSdfkJuRz4pQ14a_xmkknA,20143
 multioptpy/Calculator/dxtb_calculation_tools.py,sha256=s3LTuypTsfZEIrnkuOQUOCegfh9LCyUG0tI3zzYiliQ,16492
 multioptpy/Calculator/emt_calculation_tools.py,sha256=aq4I3yM0_A7PFCX2sB5qHfEoij2LP0cqYu_BQkMztMQ,21762
 multioptpy/Calculator/gpaw_calculation_tools.py,sha256=P2a8YSCzHvgSdvPS_HQo-liLkVBQ1ePr4tooHJm2aL4,8079
@@ -22,7 +22,7 @@ multioptpy/Calculator/sqm2_calculation_tools.py,sha256=KqPhbGohav_VrBnNBl4CHkDtS
 multioptpy/Calculator/tblite_calculation_tools.py,sha256=B-L3qgx7_jcES01BZUPWoW7YXB22WUzW8jUJV9D9ewA,16571
 multioptpy/Calculator/tersoff_calculation_tools.py,sha256=OyrQ3XgbOSd0MjuUvc8pdBKHRIqULGzFgVNmwgzSHKI,38096
 multioptpy/Calculator/ase_tools/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-multioptpy/Calculator/ase_tools/fairchem.py,sha256=XF6_ltjWFNNRS50I9x16sUQEdAZ2L5Y4hZKbvrEe6Gg,1270
+multioptpy/Calculator/ase_tools/fairchem.py,sha256=n7sZVEik1iw-gjTXyUx6uGQbJhn9FhhCJXatKQGK8oY,1627
 multioptpy/Calculator/ase_tools/gamess.py,sha256=OvRD5TGze--x-ZKqLPUAC78UwVlZwLDf-B4VoHrjp9I,904
 multioptpy/Calculator/ase_tools/gaussian.py,sha256=y4r64zX2o5zORUDt_h6SmnsBQ3wM8WQr7zP1XVmcw74,7829
 multioptpy/Calculator/ase_tools/mace.py,sha256=AsyUkTFrOI-kSnDT4d7ehViQfCRT5fG8wdYUTn56RCw,928
@@ -31,7 +31,7 @@ multioptpy/Calculator/ase_tools/nwchem.py,sha256=0NPIaX1_mzkzLh_r9e3WJA6fEiNrksE
 multioptpy/Calculator/ase_tools/orca.py,sha256=-9D5bqzQzn9IkvbYGC-OJtJKbneGKFKQVBcOhldvfw8,1026
 multioptpy/Calculator/ase_tools/pygfn0.py,sha256=N-Rrtu8wvduPxRSGQMYK9LmQiWCtfCbkBOTXjhHK-gE,1468
 multioptpy/Constraint/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-multioptpy/Constraint/constraint_condition.py,sha256=4nH2DSqe9umodf2gFr9Y5_SQ59cwQOUp_WDtAyL99Yg,50805
+multioptpy/Constraint/constraint_condition.py,sha256=wS14fYCzP1V4_d1HLElW3a6fxKfEEX3EjxPvvbRPhZ8,44202
 multioptpy/Coordinate/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 multioptpy/Coordinate/polar_coordinate.py,sha256=0PyTUduY-N3y9QI7hJcZlzDmGP65J4a-_Ydb7js47Hw,6313
 multioptpy/Coordinate/redundant_coordinate.py,sha256=1Vs5unHg7DANFxVsk4ZQ9O6XgLUMyVuXJLaBKvS0YaE,29364
@@ -67,11 +67,11 @@ multioptpy/MEP/pathopt_qsm_force.py,sha256=aOTrXeBbmvTr9SkJTcY_q1dpwoPRoFBzqn0wF
 multioptpy/MEP/pathopt_qsmv2_force.py,sha256=6BP1HX3_jhTbZlV9MhtcFUKiYzJVgtnEWqXgIllRGg4,12992
 multioptpy/ModelFunction/__init__.py,sha256=fR99QXvrDw4G5kL8mSxdDUcAMakEptR4VRvS8hjlRKA,335
 multioptpy/ModelFunction/avoiding_model_function.py,sha256=wNQ_QLLZ-aLUfZlbBvqKYWZ0RjWh3Rvf9F_T_aRtt_k,1371
-multioptpy/ModelFunction/binary_image_ts_search_model_function.py,sha256=RytqnlLDQB-LpMpA6EkS20Jxb0n-QlOGzC6yymh5tUQ,2134
+multioptpy/ModelFunction/binary_image_ts_search_model_function.py,sha256=9PWkOABP0m_KDCwVJ1-qb6SMZ_w7sYEiMyHKMELppvo,5628
 multioptpy/ModelFunction/conical_model_function.py,sha256=wo59UpciCQ_Ws_U6dO2Cz2U7UXtw_ykikOD2bZM8HkI,1052
-multioptpy/ModelFunction/opt_meci.py,sha256=0CxAx3V71tNXHtbwKZzAk714uptavqBM4oSZqZxeAA0,2125
-multioptpy/ModelFunction/opt_mesx.py,sha256=gzH-6vX8qdjxKHjIXdnM_Px3dvtUwY5w3ArXFI58seg,1883
-multioptpy/ModelFunction/opt_mesx_2.py,sha256=xjmrcYNJseQwbxt4iBp5v5PebykGPvLxTGUD1OCTjI0,1841
+multioptpy/ModelFunction/opt_meci.py,sha256=mwlx7xLT2ClHR4vu8-KVOixBntbKRPqeUlNs4PO1wJM,4963
+multioptpy/ModelFunction/opt_mesx.py,sha256=IiUzigFlZqn3ZDjbx4mHTaUEJqUEjXFmsG1l7qYsmFs,3062
+multioptpy/ModelFunction/opt_mesx_2.py,sha256=J1lr7LxcgVeAfR0WkvJg4Nt5VTaYPC2ITbP2RL7CwwQ,2530
 multioptpy/ModelFunction/seam_model_function.py,sha256=epOjUcrFpwqLXUYedJeVE5BDl1b0_2vgIFUepL_JjkI,1136
 multioptpy/ModelHessian/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 multioptpy/ModelHessian/approx_hessian.py,sha256=efF8FA7lqBuw8h4DmkfU7T78yZiS5tQ_FhMm0CAseYE,6717
@@ -115,6 +115,7 @@ multioptpy/Optimizer/component_wise_scaling.py,sha256=3sBloofh2WdjBNCHjQX1ij6us9
 multioptpy/Optimizer/conjugate_gradient.py,sha256=kXxli8mugDq2t_rshOOA_yCMHKsNWNnHxfdrR7ahxGY,3992
 multioptpy/Optimizer/conjugate_gradient_neb.py,sha256=RyoKSrvMdqKGOjEgB5_yDMNPDsRo8MFIrVRncM7-dQM,14576
 multioptpy/Optimizer/coordinate_locking.py,sha256=nE8antmRrRoOiA7BkFBLF39nb4Gbyk4XLQU60BALdsM,16511
+multioptpy/Optimizer/crsirfo.py,sha256=ijdlxWhSEMpWbnDLYa_y7FGBFooKpV-Lrzadb8miqgA,7619
 multioptpy/Optimizer/dic_rsirfo.py,sha256=WT0Ge3hVOdTEEgeeH0z2baGe7UBa_qKUJ4Y_Ph1WG8k,49864
 multioptpy/Optimizer/ediis.py,sha256=wbtAYmiJvyiFq_Z12axL_FjFfj0jIdudiWF_nPmO-SU,18093
 multioptpy/Optimizer/eve.py,sha256=BuSDZ45p_LgUAW-DVY_E3RyUui6Z14hx-3CPPw_hN64,2492
@@ -138,6 +139,8 @@ multioptpy/Optimizer/lbfgs.py,sha256=3Axzwt0S3QHp13VPj4qAvjHhSOr0mzsYraZJwq5QFjU
 multioptpy/Optimizer/lbfgs_neb.py,sha256=VNwlVaYHLqj2nRXSNzsdgueUnWO1nAOav81jW8E7G-M,14229
 multioptpy/Optimizer/linesearch.py,sha256=Ogbl1CNFjY4LcxxqWXPRkMtMSkm0YHxkqawFPvRhVkc,10876
 multioptpy/Optimizer/lookahead.py,sha256=Ies0IWEsC4ooIsk1GwGMb7Fs1F3gSphROc2LIH04TOY,1574
+multioptpy/Optimizer/mf_rsirfo.py,sha256=LVTmKoM5qsmtJHhHTVqWn_uCFPDHMTqR_aCE0bBkTDo,11489
+multioptpy/Optimizer/mode_following.py,sha256=GTZUwpEfVwgRkUkcqqe_yGgXZ7DLntBdMWFmgJkAMIM,11528
 multioptpy/Optimizer/nadam.py,sha256=Th0snniz3P4rSPD9a6N36zyFsRg17V_GNzYCWLnDUH0,2297
 multioptpy/Optimizer/newton.py,sha256=jBnTv66zjqFhCK1k57j1lcd3Yp_ArFh7fTwCoIpZNtI,7927
 multioptpy/Optimizer/prodigy.py,sha256=vY8CgyVtm1r2JYY2B2Y5Fn8Pny8kRWZTJZ7Pq6T-IMg,2502
@@ -223,7 +226,7 @@ multioptpy/Thermo/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU
 multioptpy/Thermo/normal_mode_analyzer.py,sha256=EyxWFcZ7hAs9u7PfyPrCjParTmhIEqY6X8Q4WmP9cL0,33624
 multioptpy/Utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
 multioptpy/Utils/bond_connectivity.py,sha256=6t89YBbVKYteIbAgso8aMPk8GqwY5g-EFtFIUsEo2SU,13617
-multioptpy/Utils/calc_tools.py,sha256=mW2Dbct0qdlPNokBnfSLD-svX1_PUM_S0tHQ4DzNp3U,35827
+multioptpy/Utils/calc_tools.py,sha256=2xxYx-4M7CT30n4y8GDD_4PHS8epxQz-GbyhXUCGtso,35861
 multioptpy/Utils/oniom.py,sha256=EfLbP0TipmfjIwRX-cVSAfXjRXYYeiLc2jH_eam0Rns,4244
 multioptpy/Utils/pbc.py,sha256=-DRLQfP8HInv6MHHkPNenh61vpQ4k2NVz3wM-K-Pq8k,1996
 multioptpy/Utils/riemann_curvature.py,sha256=nOiG2LJc5NBmja3IKoD-BeFqEQS9nCjlTQRicSLcvN4,14008
@@ -238,9 +241,9 @@ multioptpy/Wrapper/ieip_wrapper.py,sha256=H0Fa7x5mzyFu5rnig7GdcZGX9LFclzRxDuREX5
 multioptpy/Wrapper/md_wrapper.py,sha256=EGQKY8BwBbjWkXxKQGlelzht872OsUp9GmyxPDgWav4,3050
 multioptpy/Wrapper/neb_wrapper.py,sha256=ZOyHhuSDKA5hABnQB7PYPfbQ9OyaAj9KKBeKu_HLiY4,3254
 multioptpy/Wrapper/optimize_wrapper.py,sha256=b5DoiSb5Y4YjzYaSfxNa4A5QMn7_UzAvActPOpL78Ok,2667
-multioptpy-1.20.2.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
-multioptpy-1.20.2.dist-info/METADATA,sha256=5ZLsnPFgQbod2HPVPCv7HO8OXZcu6vt_AGH_sQ3_pvo,14061
-multioptpy-1.20.2.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-multioptpy-1.20.2.dist-info/entry_points.txt,sha256=u2Y0tgYMu7UyZumhLCfoME92lCQXhurAAsixL_B3caw,404
-multioptpy-1.20.2.dist-info/top_level.txt,sha256=_MXQNcS1xJbRbGnYUM-F_G-PlLK7wTIkuqx-EvfAhRc,11
-multioptpy-1.20.2.dist-info/RECORD,,
+multioptpy-1.20.4.dist-info/licenses/LICENSE,sha256=OXLcl0T2SZ8Pmy2_dmlvKuetivmyPd5m1q-Gyd-zaYY,35149
+multioptpy-1.20.4.dist-info/METADATA,sha256=dG63R9Y4sXhoGbAjwINFbLarxvbM4eqBR81Y_pkyrPo,16690
+multioptpy-1.20.4.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+multioptpy-1.20.4.dist-info/entry_points.txt,sha256=u2Y0tgYMu7UyZumhLCfoME92lCQXhurAAsixL_B3caw,404
+multioptpy-1.20.4.dist-info/top_level.txt,sha256=_MXQNcS1xJbRbGnYUM-F_G-PlLK7wTIkuqx-EvfAhRc,11
+multioptpy-1.20.4.dist-info/RECORD,,