biobb_cp2k/__init__.py,sha256=wqPSkgRLTJTvObi1GWyygQfIi7WSZjadexifCvnzIQc,60
biobb_cp2k/cp2k/__init__.py,sha256=xTNzdRcTwyHSZ_zDUfSfLfHxWlCId9GLQ9IqZLUh5gA,50
biobb_cp2k/cp2k/common.py,sha256=wdydL9F9R_n_j0-CYW8ZU5byRGiFbxeyna_mgVH_BJI,1927
biobb_cp2k/cp2k/cp2k_prep.py,sha256=3X2mTC28PJBMDlpEAdALLqXUl-3WffTKgVdBG2gYiBE,21815
biobb_cp2k/cp2k/cp2k_run.py,sha256=0xijiqX6a49-GyYoe1w9bsrOVSNOZvVc4ap4fhOCYG0,10879
biobb_cp2k/cp2k/cp2k_data/.DS_Store,sha256=dOPBmRz6bya_-o1c6BCXmyxim_drEdsRQx4-MZztWKA,6148
biobb_cp2k/cp2k/cp2k_data/ALL_BASIS_SETS,sha256=ItjZFcgdjgo_Rx3Y22R3-UmERfDbuTQcZ_ijB_Y56IM,189331
biobb_cp2k/cp2k/cp2k_data/ALL_POTENTIALS,sha256=0rDJltG6BTFxBXQZm38Ma9-oXiCC7VCGIk4I7yysf3k,2717
biobb_cp2k/cp2k/cp2k_data/AcPP1_POTENTIALS,sha256=UouWU_NgiHBvWCvM-vJoBL43Dy9H6AF0Te1jVHPZv4E,15836
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM,sha256=5e-GgSSlL4evHTY3em9uw3m8yJncYjvUYxUpjh18inE,57524
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM_MOLOPT,sha256=3kV6pYQ0TvbrmVo7AHKCRR4w1jq4Y2mvACvHGPhAXMk,189911
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM_UZH,sha256=-Fy2xwwS8LgP68ZCd1HQMo6oIGE7qdJ8DStrjWYSxLQ,133011
biobb_cp2k/cp2k/cp2k_data/BASIS_LRIGPW_AUXMOLOPT,sha256=xhGJhjsysOs0mf4Z5vbhjTHokbxjdNM7nmUtAV9LneE,17509
biobb_cp2k/cp2k/cp2k_data/BASIS_MINIX,sha256=3wja0kPqh3QHCQNNS58FWtr7qLUkLBBDkWF6C_-ep8k,49588
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT,sha256=aG3XLnYB7kHUoXPkx8OUbx51DwMJUJD0TTghwYCoGmE,127679
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_AcPP1,sha256=iEikH9_DTiDTYB8qx53lyXTS8c6EzyeTmcHxuQaPF9k,55644
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_LnPP1,sha256=oWwgxl6ljxUlGyxj-td1zqArXNryJZ9Vy5FK-FVwOo4,23527
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_UCL,sha256=cXicQDNitAcvR-fruMvIniFaPtpdVAWerVl86_ll5BM,179850
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_UZH,sha256=JxwVKXJJYimAZLm-StwddYAODqy3ucRv_JkIuTvwjO0,1568855
biobb_cp2k/cp2k/cp2k_data/BASIS_RI_cc-TZ,sha256=zkQWB2ldxHN6JCDkvVd5DghZHIrYQGQBlzGydWVgYz8,37261
biobb_cp2k/cp2k/cp2k_data/BASIS_SET,sha256=HWDWetXyIlMYX9qdJ7I1WFIeBKKwxe-rr0SjP-IggYI,195109
biobb_cp2k/cp2k/cp2k_data/BASIS_ZIJLSTRA,sha256=ilrniYx_MH2DcGtFHKMJ6Zpw-HvnEiBNxZ-ErwoQ4ek,5526
biobb_cp2k/cp2k/cp2k_data/BASIS_ccGRB_UZH,sha256=YCMYLzEVuU14qj5ql055VfLFmUZgWyZ7EaFxT60udnI,324291
biobb_cp2k/cp2k/cp2k_data/BASIS_def2_QZVP_RI_ALL,sha256=rrVMCuAZ5TRz6R9ZIEv4tzPJrcwTysHC7T0k-q5JFuI,258169
biobb_cp2k/cp2k/cp2k_data/BASIS_pob,sha256=dNWhFGPTvCdht2arCISDiuwxnK_ON2h08cAIGeIjH20,82905
biobb_cp2k/cp2k/cp2k_data/ECP_POTENTIALS,sha256=2peyykjieBLaUuRmRzeShX92fxMcL9WomlBTlysjuc8,223481
biobb_cp2k/cp2k/cp2k_data/EMSL_BASIS_SETS,sha256=vXmT0HOSK4VSKTTlQDD5arBtRfWKjYWDhL4_DuI8qgs,1713484
biobb_cp2k/cp2k/cp2k_data/GTH_BASIS_SETS,sha256=dtHM1SBDkKv8retcDV5gn_PRUcHBpYOgI0mvNI75Gfc,119403
biobb_cp2k/cp2k/cp2k_data/GTH_POTENTIALS,sha256=W3ansWU8QcZ6OMxGbCdc70fJ8yY-EWvQizj4OOR15UU,128982
biobb_cp2k/cp2k/cp2k_data/HFX_BASIS,sha256=t9dlwyJjqueTUYg5z_PaxDQwmAD1J3xTmFHbtE7ZGv0,17275
biobb_cp2k/cp2k/cp2k_data/HF_POTENTIALS,sha256=Of3eWDIFVkwPYPUyxESId4SR2MCrGRrLTct-0oVzfs0,2106
biobb_cp2k/cp2k/cp2k_data/LnPP1_POTENTIALS,sha256=PhEBf-LzpQA06GMyhhnFkd_o7kKOCNiwUIfv4vg1W20,5486
biobb_cp2k/cp2k/cp2k_data/MM_POTENTIAL,sha256=TOemI1-XvAKF220A9YMaeLTjzhCLeAlrWujK5hCvQTA,447
biobb_cp2k/cp2k/cp2k_data/NLCC_POTENTIALS,sha256=JnGmyeh6pWZuWu4lxFRSwmRza1rnzr3ukylkANWTMGE,5498
biobb_cp2k/cp2k/cp2k_data/POTENTIAL,sha256=igIBn25yNvoIC92t0OtW6U3KmVQwOrxYiTdNftPItbo,139303
biobb_cp2k/cp2k/cp2k_data/POTENTIAL_UZH,sha256=DXqsEcHmPXXDqhHd_UOaTcKkf6hX96hsSnr-5f23af0,382664
biobb_cp2k/cp2k/cp2k_data/README.md,sha256=Mu_6n6ZqVd1DQI67n0jyyAk6w5dTpL3K7X5hu7D5BdE,125
biobb_cp2k/cp2k/cp2k_data/dftd3.dat,sha256=H1BBkU-zp_psl2AtgtpsuRKcHB26Z12yNSLenCg32v0,1959318
biobb_cp2k/cp2k/cp2k_data/nm12_parameters.xml,sha256=2-kBEHPlUgtJQdla2hEqiVyGTsJzRz5c0CueXZw3hcI,91811
biobb_cp2k/cp2k/cp2k_data/rVV10_kernel_table.dat,sha256=dGijluj03T_2SS25LyAPF033MwXHo7qoXCEXxBIt3bQ,10009940
biobb_cp2k/cp2k/cp2k_data/t_c_g.dat,sha256=jQH2Jxk0J6kK5u14IcJKytzmCz9WA2mnvQcQfnatmRk,12496176
biobb_cp2k/cp2k/cp2k_data/t_sh_p_s_c.dat,sha256=28e4LPbDxuHbd-10vF88HuLZBvbMB0re3ubhVf_6aQ8,13284480
biobb_cp2k/cp2k/cp2k_data/vdW_kernel_table.dat,sha256=0miH-ymhBO3QP6haHQc6OApW-haAt26s97LA6G1Tpv0,10009940
biobb_cp2k/cp2k/cp2k_data/xTB_parameters,sha256=2fEfpkEdIDE12IohF4-KhzU0Sdw9FRtCzpcnBU3I-kU,32194
biobb_cp2k/cp2k/cp2k_in/cp2k_energy.inp,sha256=q-nlxOczlzEn_FL2SvMmnqqn5AMdi2ev9xWVlCZ9zpc,1425
biobb_cp2k/cp2k/cp2k_in/cp2k_geom_opt.inp,sha256=yKYPFoCLmBHWza5AczWcu891YE-89xc8nOUPV8Ts6qk,1579
biobb_cp2k/cp2k/cp2k_in/cp2k_md.inp,sha256=LeZIZgt8TkbsvdnM6tiPQ5WBU8FaB-ZAn6D2pY4K2jQ,1506
biobb_cp2k/cp2k/cp2k_in/cp2k_mp2.inp,sha256=-hO-AhqnDuFHF4Xlo56JkRiYc8efinuIh5MX0cTPBYI,1675
biobb_cp2k-3.8.2.dist-info/LICENSE,sha256=WNHhf_5RCaeuKWyq_K39vmp9F28LxKsB4SpomwSZ2L0,11357
biobb_cp2k-3.8.2.dist-info/METADATA,sha256=kJjByMPmwk4tYku1WBg6UT5EafVHmaBUc7-C0ZwCnq8,867
biobb_cp2k-3.8.2.dist-info/WHEEL,sha256=G16H4A3IeoQmnOrYV4ueZGKSjhipXx8zc8nu9FGlvMA,92
biobb_cp2k-3.8.2.dist-info/entry_points.txt,sha256=P6sDSqJVFpcK6TKEvGj7eAjP5-r_sWaD5vMWo4ooAuk,102
biobb_cp2k-3.8.2.dist-info/top_level.txt,sha256=gGCW4ow2T4Qjtak7WhAeP8p2pnR-uLy5yzGvAklAdqA,11
biobb_cp2k-3.8.2.dist-info/RECORD,,
