mirror of
https://github.com/LCPQ/quantum_package
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Renamed test inputs
This commit is contained in:
parent
de6af26a8b
commit
346731bddc
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data/inputs/Al+.md5
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data/inputs/Al+.md5
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808031ee533705b5cac58056ebd3b5c4 Al+.ezfio/ao_basis/ao_coef.gz
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61eead7d1de1b73337744006ba5e6822 Al+.ezfio/ao_basis/ao_expo.gz
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5353d95a83852faf20b455ad57b8311d Al+.ezfio/ao_basis/ao_nucl.gz
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a62103800a061f58b2b696f7c5119e54 Al+.ezfio/ao_basis/ao_num
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26415ea601770312cffb3a9d4223b8e1 Al+.ezfio/ao_basis/ao_power.gz
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ea33607dca68f44c74b4060a7eeff95f Al+.ezfio/ao_basis/ao_prim_num.gz
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503018260a2f6fc8557fcf29300fa8bb Al+.ezfio/electrons/elec_alpha_num
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503018260a2f6fc8557fcf29300fa8bb Al+.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c Al+.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf Al+.ezfio/ezfio/library
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51a89607357b1309bda52b2943f25bae Al+.ezfio/mo_basis/mo_coef.gz
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23f6643104f2206a9e692fecc16d1fdf Al+.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 Al+.ezfio/mo_basis/mo_label
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b947b4b19c1a6fa724d465545f17cb20 Al+.ezfio/mo_basis/mo_occ.gz
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0b99523d4e44508cf890355dae0d09c8 Al+.ezfio/mo_basis/mo_symmetry.gz
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dcb3ca24a097368c672b71dcd834777b Al+.ezfio/mo_basis/mo_tot_num
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0ce1b7570cd7f051ba332295d37740f8 Al+.ezfio/nuclei/nucl_charge.gz
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3316d1f857fcbd7039fdf2f4f6c1f968 Al+.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 Al+.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b Al+.ezfio/output/empty
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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.md5
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data/inputs/Al.md5
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49b9859a17c832f9c3c88e5de7aa8a8f Al.ezfio/ao_basis/ao_coef.gz
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1b65b4300b89a524fde262186992360c Al.ezfio/ao_basis/ao_expo.gz
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ff29b4c130a9be9e088373cbce69946c Al.ezfio/ao_basis/ao_nucl.gz
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a62103800a061f58b2b696f7c5119e54 Al.ezfio/ao_basis/ao_num
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4116b0901efa62066295a24955bb9fe7 Al.ezfio/ao_basis/ao_power.gz
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d5e7ff32e3ac9f00c9486c6e7d2bff90 Al.ezfio/ao_basis/ao_prim_num.gz
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4e94260b47ac90ce146cf693b6ea796f Al.ezfio/electrons/elec_alpha_num
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503018260a2f6fc8557fcf29300fa8bb Al.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c Al.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf Al.ezfio/ezfio/library
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69f1046d6169328fa0fe752b9b49d8e3 Al.ezfio/mo_basis/mo_coef.gz
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9c12e0ef723ccad3562fea5c3650449a Al.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 Al.ezfio/mo_basis/mo_label
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57b079098401b16dc65d50f245739db0 Al.ezfio/mo_basis/mo_occ.gz
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d10413c320efe15d424a9c97577f7437 Al.ezfio/mo_basis/mo_symmetry.gz
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dcb3ca24a097368c672b71dcd834777b Al.ezfio/mo_basis/mo_tot_num
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f720bec5832863a8b5b9cfdd02795b71 Al.ezfio/nuclei/nucl_charge.gz
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6a117982fbbeb4b93874797cdbf738c1 Al.ezfio/nuclei/nucl_coord.gz
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765e1f05dd3fbab8c7ebefaf2f1813e4 Al.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b Al.ezfio/output/empty
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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.md5
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data/inputs/AlCl.md5
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84e769cf436344ba7e9c60ca44235ff3 AlCl.ezfio/ao_basis/ao_coef.gz
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85c1c07e11160f2ef30940cb44a39447 AlCl.ezfio/ao_basis/ao_expo.gz
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0723e3a611dfac34e4ca7c888fe52b74 AlCl.ezfio/ao_basis/ao_nucl.gz
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2d176e3fd2a2bc8ed352f827d87ded6b AlCl.ezfio/ao_basis/ao_num
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719fa6526e650d08811f55e92fdbdc9f AlCl.ezfio/ao_basis/ao_power.gz
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867d90cf47891dc0416e193952307dde AlCl.ezfio/ao_basis/ao_prim_num.gz
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8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.ezfio/electrons/elec_alpha_num
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8d835c17bb93dc4b67ed4ec1d7197ffa AlCl.ezfio/electrons/elec_beta_num
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9569f8f5828e3527bd67ad24927b623d AlCl.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlCl.ezfio/ezfio/library
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e05d99e088f3a279b780f075cccdc8b4 AlCl.ezfio/mo_basis/mo_coef.gz
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20c3a0c1db6a9c675792a29e095ec120 AlCl.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 AlCl.ezfio/mo_basis/mo_label
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fbec817ac69df9f5dbe6bbc226eb9b2d AlCl.ezfio/mo_basis/mo_occ.gz
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b77ba514cac9f6a45f3996393368a097 AlCl.ezfio/mo_basis/mo_symmetry.gz
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3e24e6b8b60686ba6ce4cb31d06228c3 AlCl.ezfio/mo_basis/mo_tot_num
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f882ff142b5f4803c31f3acf936a0f91 AlCl.ezfio/nuclei/nucl_charge.gz
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4ffcc8c9641961dbe2c4dc74e6a90383 AlCl.ezfio/nuclei/nucl_coord.gz
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b8d55a162b3e0811e1c93a1c6f157817 AlCl.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlCl.ezfio/output/empty
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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.md5
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data/inputs/AlH.md5
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69d14e2180dce0c28ad8e7e85146f3f4 AlH.ezfio/ao_basis/ao_coef.gz
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a05e5c75a51bee8a0bc12e7d1addcb43 AlH.ezfio/ao_basis/ao_expo.gz
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c688aa87445047cd2a98b131dcf12ac1 AlH.ezfio/ao_basis/ao_nucl.gz
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451c4341193e051f7bce31747b7857ac AlH.ezfio/ao_basis/ao_num
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f3a03d7cee2d34fa7b2e164c52323c27 AlH.ezfio/ao_basis/ao_power.gz
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06f5ee68fe9c8b9bb41a021f335cb9d9 AlH.ezfio/ao_basis/ao_prim_num.gz
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4e94260b47ac90ce146cf693b6ea796f AlH.ezfio/electrons/elec_alpha_num
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4e94260b47ac90ce146cf693b6ea796f AlH.ezfio/electrons/elec_beta_num
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3f708499876f92eaf350d3ac7d89d18c AlH.ezfio/ezfio/creation
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7f367b65714301b397509954da600ecf AlH.ezfio/ezfio/library
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33cbfdd07a54335535f407716f2ef525 AlH.ezfio/mo_basis/mo_coef.gz
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8cdd48d4564cb00b60c9cdde9e475b04 AlH.ezfio/mo_basis/mo_energy.gz
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4b752f0c6bd89811f15963699a6323a0 AlH.ezfio/mo_basis/mo_label
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fe893bcdb44b70c37a194d653a7a1955 AlH.ezfio/mo_basis/mo_occ.gz
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19f9a04a19ca8e9b80a6100704890359 AlH.ezfio/mo_basis/mo_symmetry.gz
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5a0298ddca255c2e8163c30b11fd397e AlH.ezfio/mo_basis/mo_tot_num
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2170c2f21555a3cb1f5181b319b50682 AlH.ezfio/nuclei/nucl_charge.gz
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b0f7811884bac9626cbe71e9f8da4e47 AlH.ezfio/nuclei/nucl_coord.gz
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b8d55a162b3e0811e1c93a1c6f157817 AlH.ezfio/nuclei/nucl_num
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9104e54c37d062209b247e0132dbb74b AlH.ezfio/output/empty
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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.md5
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data/inputs/AlH2.md5
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a58fd6bb4331a4d76634db5765ae7681 AlH2.ezfio/ao_basis/ao_coef.gz
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data/inputs/BO.md5
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4afb4a2a390dbc2047845b8318b8458b CN.ezfio/nuclei/nucl_charge.gz
|
||||||
|
82d220b55f0e478e690010a635230025 CN.ezfio/nuclei/nucl_coord.gz
|
||||||
|
b8d55a162b3e0811e1c93a1c6f157817 CN.ezfio/nuclei/nucl_num
|
||||||
|
9104e54c37d062209b247e0132dbb74b CN.ezfio/output/empty
|
@ -1,20 +0,0 @@
|
|||||||
2fb1d26700e88166203719e7d19aa607 CN.out.ezfio/ao_basis/ao_coef.gz
|
|
||||||
7d8a4951aea653801e14d28cab4a4458 CN.out.ezfio/ao_basis/ao_expo.gz
|
|
||||||
7e073d1f68c03b677b4239fb0083c89c CN.out.ezfio/ao_basis/ao_nucl.gz
|
|
||||||
c9d2e4f9d10db875d4396ee02bce67cb CN.out.ezfio/ao_basis/ao_num
|
|
||||||
8071b26dae120a9490c4650e1ab33f8b CN.out.ezfio/ao_basis/ao_power.gz
|
|
||||||
1dfec7d900eff9ed66918ba80b903ad5 CN.out.ezfio/ao_basis/ao_prim_num.gz
|
|
||||||
4e94260b47ac90ce146cf693b6ea796f CN.out.ezfio/electrons/elec_alpha_num
|
|
||||||
503018260a2f6fc8557fcf29300fa8bb CN.out.ezfio/electrons/elec_beta_num
|
|
||||||
9e9e0ea580616858707a7aa3e9c2fe1a CN.out.ezfio/ezfio/creation
|
|
||||||
7f367b65714301b397509954da600ecf CN.out.ezfio/ezfio/library
|
|
||||||
222e064b4d67a2b3d619026c6f041c50 CN.out.ezfio/mo_basis/mo_coef.gz
|
|
||||||
acd4cd1af3a12a9720fb00c82a5f1161 CN.out.ezfio/mo_basis/mo_energy.gz
|
|
||||||
4b752f0c6bd89811f15963699a6323a0 CN.out.ezfio/mo_basis/mo_label
|
|
||||||
d7eb9862e2058283171213006f95c91b CN.out.ezfio/mo_basis/mo_occ.gz
|
|
||||||
8d67a91b40e6bcec16d9705854557eb5 CN.out.ezfio/mo_basis/mo_symmetry.gz
|
|
||||||
86ab60aaf6bd682019491d338a44e5f2 CN.out.ezfio/mo_basis/mo_tot_num
|
|
||||||
4afb4a2a390dbc2047845b8318b8458b CN.out.ezfio/nuclei/nucl_charge.gz
|
|
||||||
82d220b55f0e478e690010a635230025 CN.out.ezfio/nuclei/nucl_coord.gz
|
|
||||||
b8d55a162b3e0811e1c93a1c6f157817 CN.out.ezfio/nuclei/nucl_num
|
|
||||||
9104e54c37d062209b247e0132dbb74b CN.out.ezfio/output/empty
|
|
20
data/inputs/CO+.md5
Normal file
20
data/inputs/CO+.md5
Normal file
@ -0,0 +1,20 @@
|
|||||||
|
09a151139911804a4e74d9f529e44255 CO+.ezfio/ao_basis/ao_coef.gz
|
||||||
|
3f571f14596629c17c7e757513d9ae35 CO+.ezfio/ao_basis/ao_expo.gz
|
||||||
|
dd765f77d52bdc10a899c0ea69489431 CO+.ezfio/ao_basis/ao_nucl.gz
|
||||||
|
c9d2e4f9d10db875d4396ee02bce67cb CO+.ezfio/ao_basis/ao_num
|
||||||
|
21a6b64d325960e79b3cad379345a0d3 CO+.ezfio/ao_basis/ao_power.gz
|
||||||
|
b73c23df0d297a867f127d5a016fce82 CO+.ezfio/ao_basis/ao_prim_num.gz
|
||||||
|
4e94260b47ac90ce146cf693b6ea796f CO+.ezfio/electrons/elec_alpha_num
|
||||||
|
503018260a2f6fc8557fcf29300fa8bb CO+.ezfio/electrons/elec_beta_num
|
||||||
|
15de91fad5d928f39cb20038202edd5f CO+.ezfio/ezfio/creation
|
||||||
|
7f367b65714301b397509954da600ecf CO+.ezfio/ezfio/library
|
||||||
|
9db16b7ec7de6c7899803ebe603e06f1 CO+.ezfio/mo_basis/mo_coef.gz
|
||||||
|
08c9937551c3dcd8721d88bad8afeb00 CO+.ezfio/mo_basis/mo_energy.gz
|
||||||
|
4b752f0c6bd89811f15963699a6323a0 CO+.ezfio/mo_basis/mo_label
|
||||||
|
44538482abebaa38b8518b78cb01fd81 CO+.ezfio/mo_basis/mo_occ.gz
|
||||||
|
56b426c8e0f6785445dcad658bd8d280 CO+.ezfio/mo_basis/mo_symmetry.gz
|
||||||
|
86ab60aaf6bd682019491d338a44e5f2 CO+.ezfio/mo_basis/mo_tot_num
|
||||||
|
fef3d1f02b4e2e957a1902d1444d945c CO+.ezfio/nuclei/nucl_charge.gz
|
||||||
|
fc14347a9809418d9659f9cee1cdd042 CO+.ezfio/nuclei/nucl_coord.gz
|
||||||
|
b8d55a162b3e0811e1c93a1c6f157817 CO+.ezfio/nuclei/nucl_num
|
||||||
|
9104e54c37d062209b247e0132dbb74b CO+.ezfio/output/empty
|
@ -1,20 +0,0 @@
|
|||||||
09a151139911804a4e74d9f529e44255 CO+.out.ezfio/ao_basis/ao_coef.gz
|
|
||||||
3f571f14596629c17c7e757513d9ae35 CO+.out.ezfio/ao_basis/ao_expo.gz
|
|
||||||
dd765f77d52bdc10a899c0ea69489431 CO+.out.ezfio/ao_basis/ao_nucl.gz
|
|
||||||
c9d2e4f9d10db875d4396ee02bce67cb CO+.out.ezfio/ao_basis/ao_num
|
|
||||||
21a6b64d325960e79b3cad379345a0d3 CO+.out.ezfio/ao_basis/ao_power.gz
|
|
||||||
b73c23df0d297a867f127d5a016fce82 CO+.out.ezfio/ao_basis/ao_prim_num.gz
|
|
||||||
4e94260b47ac90ce146cf693b6ea796f CO+.out.ezfio/electrons/elec_alpha_num
|
|
||||||
503018260a2f6fc8557fcf29300fa8bb CO+.out.ezfio/electrons/elec_beta_num
|
|
||||||
15de91fad5d928f39cb20038202edd5f CO+.out.ezfio/ezfio/creation
|
|
||||||
7f367b65714301b397509954da600ecf CO+.out.ezfio/ezfio/library
|
|
||||||
9db16b7ec7de6c7899803ebe603e06f1 CO+.out.ezfio/mo_basis/mo_coef.gz
|
|
||||||
08c9937551c3dcd8721d88bad8afeb00 CO+.out.ezfio/mo_basis/mo_energy.gz
|
|
||||||
4b752f0c6bd89811f15963699a6323a0 CO+.out.ezfio/mo_basis/mo_label
|
|
||||||
44538482abebaa38b8518b78cb01fd81 CO+.out.ezfio/mo_basis/mo_occ.gz
|
|
||||||
56b426c8e0f6785445dcad658bd8d280 CO+.out.ezfio/mo_basis/mo_symmetry.gz
|
|
||||||
86ab60aaf6bd682019491d338a44e5f2 CO+.out.ezfio/mo_basis/mo_tot_num
|
|
||||||
fef3d1f02b4e2e957a1902d1444d945c CO+.out.ezfio/nuclei/nucl_charge.gz
|
|
||||||
fc14347a9809418d9659f9cee1cdd042 CO+.out.ezfio/nuclei/nucl_coord.gz
|
|
||||||
b8d55a162b3e0811e1c93a1c6f157817 CO+.out.ezfio/nuclei/nucl_num
|
|
||||||
9104e54c37d062209b247e0132dbb74b CO+.out.ezfio/output/empty
|
|
Some files were not shown because too many files have changed in this diff Show More
Loading…
Reference in New Issue
Block a user