mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-24 21:41:46 +02:00
Added checked inputs for tests.
This commit is contained in:
parent
796394d798
commit
550547e54b
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data/inputs/Al+.out.ezfio.md5
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data/inputs/Al+.out.ezfio.md5
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808031ee533705b5cac58056ebd3b5c4 Al+.out.ezfio/ao_basis/ao_coef.gz
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61eead7d1de1b73337744006ba5e6822 Al+.out.ezfio/ao_basis/ao_expo.gz
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5353d95a83852faf20b455ad57b8311d Al+.out.ezfio/ao_basis/ao_nucl.gz
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a62103800a061f58b2b696f7c5119e54 Al+.out.ezfio/ao_basis/ao_num
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26415ea601770312cffb3a9d4223b8e1 Al+.out.ezfio/ao_basis/ao_power.gz
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ea33607dca68f44c74b4060a7eeff95f Al+.out.ezfio/ao_basis/ao_prim_num.gz
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503018260a2f6fc8557fcf29300fa8bb Al+.out.ezfio/electrons/elec_alpha_num
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503018260a2f6fc8557fcf29300fa8bb Al+.out.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c Al+.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf Al+.out.ezfio/ezfio/library
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51a89607357b1309bda52b2943f25bae Al+.out.ezfio/mo_basis/mo_coef.gz
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23f6643104f2206a9e692fecc16d1fdf Al+.out.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 Al+.out.ezfio/mo_basis/mo_label
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b947b4b19c1a6fa724d465545f17cb20 Al+.out.ezfio/mo_basis/mo_occ.gz
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0b99523d4e44508cf890355dae0d09c8 Al+.out.ezfio/mo_basis/mo_symmetry.gz
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dcb3ca24a097368c672b71dcd834777b Al+.out.ezfio/mo_basis/mo_tot_num
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0ce1b7570cd7f051ba332295d37740f8 Al+.out.ezfio/nuclei/nucl_charge.gz
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3316d1f857fcbd7039fdf2f4f6c1f968 Al+.out.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 Al+.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b Al+.out.ezfio/output/empty
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data/inputs/Al.out.ezfio.md5
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data/inputs/Al.out.ezfio.md5
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49b9859a17c832f9c3c88e5de7aa8a8f Al.out.ezfio/ao_basis/ao_coef.gz
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1b65b4300b89a524fde262186992360c Al.out.ezfio/ao_basis/ao_expo.gz
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ff29b4c130a9be9e088373cbce69946c Al.out.ezfio/ao_basis/ao_nucl.gz
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a62103800a061f58b2b696f7c5119e54 Al.out.ezfio/ao_basis/ao_num
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4116b0901efa62066295a24955bb9fe7 Al.out.ezfio/ao_basis/ao_power.gz
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d5e7ff32e3ac9f00c9486c6e7d2bff90 Al.out.ezfio/ao_basis/ao_prim_num.gz
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4e94260b47ac90ce146cf693b6ea796f Al.out.ezfio/electrons/elec_alpha_num
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503018260a2f6fc8557fcf29300fa8bb Al.out.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c Al.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf Al.out.ezfio/ezfio/library
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69f1046d6169328fa0fe752b9b49d8e3 Al.out.ezfio/mo_basis/mo_coef.gz
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9c12e0ef723ccad3562fea5c3650449a Al.out.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 Al.out.ezfio/mo_basis/mo_label
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57b079098401b16dc65d50f245739db0 Al.out.ezfio/mo_basis/mo_occ.gz
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d10413c320efe15d424a9c97577f7437 Al.out.ezfio/mo_basis/mo_symmetry.gz
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dcb3ca24a097368c672b71dcd834777b Al.out.ezfio/mo_basis/mo_tot_num
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f720bec5832863a8b5b9cfdd02795b71 Al.out.ezfio/nuclei/nucl_charge.gz
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6a117982fbbeb4b93874797cdbf738c1 Al.out.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 Al.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b Al.out.ezfio/output/empty
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data/inputs/AlCl.out.ezfio.md5
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data/inputs/AlCl.out.ezfio.md5
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84e769cf436344ba7e9c60ca44235ff3 AlCl.out.ezfio/ao_basis/ao_coef.gz
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85c1c07e11160f2ef30940cb44a39447 AlCl.out.ezfio/ao_basis/ao_expo.gz
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0723e3a611dfac34e4ca7c888fe52b74 AlCl.out.ezfio/ao_basis/ao_nucl.gz
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2d176e3fd2a2bc8ed352f827d87ded6b AlCl.out.ezfio/ao_basis/ao_num
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719fa6526e650d08811f55e92fdbdc9f AlCl.out.ezfio/ao_basis/ao_power.gz
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867d90cf47891dc0416e193952307dde AlCl.out.ezfio/ao_basis/ao_prim_num.gz
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8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.out.ezfio/electrons/elec_alpha_num
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8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.out.ezfio/electrons/elec_beta_num
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9569f8f5828e3527bd67ad24927b623d AlCl.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlCl.out.ezfio/ezfio/library
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e05d99e088f3a279b780f075cccdc8b4 AlCl.out.ezfio/mo_basis/mo_coef.gz
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20c3a0c1db6a9c675792a29e095ec120 AlCl.out.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 AlCl.out.ezfio/mo_basis/mo_label
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fbec817ac69df9f5dbe6bbc226eb9b2d AlCl.out.ezfio/mo_basis/mo_occ.gz
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b77ba514cac9f6a45f3996393368a097 AlCl.out.ezfio/mo_basis/mo_symmetry.gz
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3e24e6b8b60686ba6ce4cb31d06228c3 AlCl.out.ezfio/mo_basis/mo_tot_num
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f882ff142b5f4803c31f3acf936a0f91 AlCl.out.ezfio/nuclei/nucl_charge.gz
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4ffcc8c9641961dbe2c4dc74e6a90383 AlCl.out.ezfio/nuclei/nucl_coord.gz
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b8d55a162b3e0811e1c93a1c6f157817 AlCl.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlCl.out.ezfio/output/empty
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data/inputs/AlH.out.ezfio.md5
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data/inputs/AlH.out.ezfio.md5
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69d14e2180dce0c28ad8e7e85146f3f4 AlH.out.ezfio/ao_basis/ao_coef.gz
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a05e5c75a51bee8a0bc12e7d1addcb43 AlH.out.ezfio/ao_basis/ao_expo.gz
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c688aa87445047cd2a98b131dcf12ac1 AlH.out.ezfio/ao_basis/ao_nucl.gz
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451c4341193e051f7bce31747b7857ac AlH.out.ezfio/ao_basis/ao_num
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f3a03d7cee2d34fa7b2e164c52323c27 AlH.out.ezfio/ao_basis/ao_power.gz
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06f5ee68fe9c8b9bb41a021f335cb9d9 AlH.out.ezfio/ao_basis/ao_prim_num.gz
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4e94260b47ac90ce146cf693b6ea796f AlH.out.ezfio/electrons/elec_alpha_num
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4e94260b47ac90ce146cf693b6ea796f AlH.out.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c AlH.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlH.out.ezfio/ezfio/library
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33cbfdd07a54335535f407716f2ef525 AlH.out.ezfio/mo_basis/mo_coef.gz
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8cdd48d4564cb00b60c9cdde9e475b04 AlH.out.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 AlH.out.ezfio/mo_basis/mo_label
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fe893bcdb44b70c37a194d653a7a1955 AlH.out.ezfio/mo_basis/mo_occ.gz
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19f9a04a19ca8e9b80a6100704890359 AlH.out.ezfio/mo_basis/mo_symmetry.gz
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5a0298ddca255c2e8163c30b11fd397e AlH.out.ezfio/mo_basis/mo_tot_num
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2170c2f21555a3cb1f5181b319b50682 AlH.out.ezfio/nuclei/nucl_charge.gz
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b0f7811884bac9626cbe71e9f8da4e47 AlH.out.ezfio/nuclei/nucl_coord.gz
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b8d55a162b3e0811e1c93a1c6f157817 AlH.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlH.out.ezfio/output/empty
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data/inputs/AlH2.out.ezfio.md5
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data/inputs/AlH2.out.ezfio.md5
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a58fd6bb4331a4d76634db5765ae7681 AlH2.out.ezfio/ao_basis/ao_coef.gz
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d6dfef0dbc791d3ee790bed0b509ee0d AlH2.out.ezfio/ao_basis/ao_expo.gz
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a2cbaee8b80b02d356304c3d5b0275f5 AlH2.out.ezfio/ao_basis/ao_nucl.gz
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4060e3d8c144f496022427a2c22aeb85 AlH2.out.ezfio/ao_basis/ao_num
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bb4c604c6385245d5771e01a74605bd9 AlH2.out.ezfio/ao_basis/ao_power.gz
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5edb8dd9fd5e3a43b30fe08044af641f AlH2.out.ezfio/ao_basis/ao_prim_num.gz
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6156a0908e61aaf7a450978fcd37322d AlH2.out.ezfio/electrons/elec_alpha_num
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4e94260b47ac90ce146cf693b6ea796f AlH2.out.ezfio/electrons/elec_beta_num
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9569f8f5828e3527bd67ad24927b623d AlH2.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlH2.out.ezfio/ezfio/library
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2e5f7a4ceb71f882ad395a51e78259c0 AlH2.out.ezfio/mo_basis/mo_coef.gz
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4b752f0c6bd89811f15963699a6323a0 AlH2.out.ezfio/mo_basis/mo_label
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ea0f7a73813afb98d09cfebc57b95fb3 AlH2.out.ezfio/mo_basis/mo_occ.gz
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31665b4dabfc9616073a67553d5031b5 AlH2.out.ezfio/mo_basis/mo_symmetry.gz
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96073fdf43dbb00a9a6ac156bc74ecf9 AlH2.out.ezfio/nuclei/nucl_charge.gz
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66bd137f35a4e7a6b7932f28f429d8de AlH2.out.ezfio/nuclei/nucl_coord.gz
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fc7192d47339d0d2b75886b578c1b041 AlH2.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlH2.out.ezfio/output/empty
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data/inputs/AlH3.out.ezfio.md5
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data/inputs/AlH3.out.ezfio.md5
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2c7789d5600d762a7243f9a0c4ddbef4 AlH3.out.ezfio/ao_basis/ao_coef.gz
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3684cba18cb251696e3efbe2a411ff51 AlH3.out.ezfio/ao_basis/ao_num
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6156a0908e61aaf7a450978fcd37322d AlH3.out.ezfio/electrons/elec_alpha_num
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6156a0908e61aaf7a450978fcd37322d AlH3.out.ezfio/electrons/elec_beta_num
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9569f8f5828e3527bd67ad24927b623d AlH3.out.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlH3.out.ezfio/ezfio/library
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4b752f0c6bd89811f15963699a6323a0 AlH3.out.ezfio/mo_basis/mo_label
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6d565b356be2a29b033f88669e83ea32 AlH3.out.ezfio/mo_basis/mo_tot_num
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5b49c57d9de4d150adccbd219689a636 AlH3.out.ezfio/nuclei/nucl_charge.gz
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3d9ac71b37bafdc9d42f94f1e7c7ab07 AlH3.out.ezfio/nuclei/nucl_coord.gz
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a5ae057cdae95f3930403204a9c9cbe2 AlH3.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlH3.out.ezfio/output/empty
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data/inputs/B+.out.ezfio.md5
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data/inputs/B+.out.ezfio.md5
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b1308437df680fa582d5da1ee2c0f86f B+.out.ezfio/ao_basis/ao_coef.gz
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b8d55a162b3e0811e1c93a1c6f157817 B+.out.ezfio/electrons/elec_alpha_num
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b8d55a162b3e0811e1c93a1c6f157817 B+.out.ezfio/electrons/elec_beta_num
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4b752f0c6bd89811f15963699a6323a0 B+.out.ezfio/mo_basis/mo_label
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9104e54c37d062209b247e0132dbb74b B+.out.ezfio/output/empty
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data/inputs/B.out.ezfio.md5
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data/inputs/B.out.ezfio.md5
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4697a3ffa9e3390392d569bf322b18e1 B.out.ezfio/ao_basis/ao_coef.gz
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fc7192d47339d0d2b75886b578c1b041 B.out.ezfio/electrons/elec_alpha_num
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b8d55a162b3e0811e1c93a1c6f157817 B.out.ezfio/electrons/elec_beta_num
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3c3c91619a5c3eb8710b89c2da07b853 B.out.ezfio/ezfio/creation
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4b752f0c6bd89811f15963699a6323a0 B.out.ezfio/mo_basis/mo_label
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16f2885518e5c47a2513b55dad82d8d6 B.out.ezfio/mo_basis/mo_occ.gz
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4f8b9c1047bb093d5e8ded0558e9ea5b B.out.ezfio/mo_basis/mo_symmetry.gz
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757c9248d7ddb2778d3df1b1ba938d15 B.out.ezfio/mo_basis/mo_tot_num
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0f648d2ad9978199a4ef94b573aacdd6 B.out.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 B.out.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b B.out.ezfio/output/empty
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data/inputs/BCl.out.ezfio.md5
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data/inputs/BCl.out.ezfio.md5
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49fcfb5e404239ab5e80127bca4bc8b5 BCl.out.ezfio/ao_basis/ao_coef.gz
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3684cba18cb251696e3efbe2a411ff51 BCl.out.ezfio/ao_basis/ao_num
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92f734ac7f77e60614a0f388afebfea4 BCl.out.ezfio/ao_basis/ao_power.gz
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|
20
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Normal file
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Normal file
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Normal file
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Normal file
20
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Normal file
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Normal file
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Normal file
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|
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Normal file
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Normal file
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|
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data/inputs/ClH2+.out.ezfio.md5
Normal file
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Normal file
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20
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|
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data/inputs/H3CCl.out.ezfio.md5
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data/inputs/H3CCl.out.ezfio.md5
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|
||||
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|
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20
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20
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|
20
data/inputs/H3COH.out.ezfio.md5
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20
data/inputs/H3COH.out.ezfio.md5
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|
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data/inputs/H3CSH.out.ezfio.md5
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|
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data/inputs/H3SiSiH3.out.ezfio.md5
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20
data/inputs/H3SiSiH3.out.ezfio.md5
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20
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Normal file
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||||
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Normal file
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||||
e96b9cb900aba93d04f7f6a1c4d1f51f HBS.out.ezfio/nuclei/nucl_charge.gz
|
||||
47afd529bdfc76693a84a45cec8edbf0 HBS.out.ezfio/nuclei/nucl_coord.gz
|
||||
fc7192d47339d0d2b75886b578c1b041 HBS.out.ezfio/nuclei/nucl_num
|
||||
9104e54c37d062209b247e0132dbb74b HBS.out.ezfio/output/empty
|
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Reference in New Issue
Block a user