diff --git a/README.md b/README.md index 9a7a5616..9d8e106e 100644 --- a/README.md +++ b/README.md @@ -66,11 +66,11 @@ As shown in the `doped` tutorials, it is highly recommended to use the [`ShakeNB - P. A. Hyde et al. **_Lithium Intercalation into the Excitonic Insulator Candidate Ta2NiSe5_** [_Inorganic Chemistry_](https://doi.org/10.1021/acs.inorgchem.3c01510) 2023 - J. Willis, K. B. Spooner, D. O. Scanlon **_On the possibility of p-type doping in barium stannate_** [_Applied Physics Letters_](https://doi.org/10.1063/5.0170552) 2023 - J. Cen et al. **_Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes_** [_Journal of Materials Chemistry A_](https://doi.org/10.1039/D3TA00532A) 2023 -- J. Willis & R. Claes et al. **_Limits to Hole Mobility and Doping in Copper Iodide_** [_Chem Mater_](https://doi.org/10.1021/acs.chemmater.3c01628) 2023 +- J. Willis & R. Claes et al. **_Limits to Hole Mobility and Doping in Copper Iodide_** [_Chemistry of Materials_](https://doi.org/10.1021/acs.chemmater.3c01628) 2023 - I. Mosquera-Lois & S. R. Kavanagh, A. Walsh, D. O. Scanlon **_Identifying the ground state structures of point defects in solids_** [_npj Computational Materials_](https://www.nature.com/articles/s41524-023-00973-1) 2023 - Y. T. Huang & S. R. Kavanagh et al. **_Strong absorption and ultrafast localisation in NaBiS2 nanocrystals with slow charge-carrier recombination_** [_Nature Communications_](https://www.nature.com/articles/s41467-022-32669-3) 2022 - S. R. Kavanagh, D. O. Scanlon, A. Walsh, C. Freysoldt **_Impact of metastable defect structures on carrier recombination in solar cells_** [_Faraday Discussions_](https://doi.org/10.1039/D2FD00043A) 2022 -- Y-S. Choi et al. **_Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na2Ti3O7_** [_ACS Appl. Energy Mater._](https://doi.org/10.1021/acsaem.2c03466) 2022 +- Y-S. Choi et al. **_Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na2Ti3O7_** [_ACS Applied Energy Materials_](https://doi.org/10.1021/acsaem.2c03466) 2022 - S. R. Kavanagh, D. O. Scanlon, A. Walsh **_Rapid Recombination by Cadmium Vacancies in CdTe_** [_ACS Energy Letters_](https://pubs.acs.org/doi/full/10.1021/acsenergylett.1c00380) 2021 - C. J. Krajewska et al. **_Enhanced visible light absorption in layered Cs3Bi2Br9 through mixed-valence Sn(II)/Sn(IV) doping_** [_Chemical Science_](https://doi.org/10.1039/D1SC03775G) 2021 diff --git a/docs/index.rst b/docs/index.rst index 455b1b4e..dca75e0a 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -101,11 +101,11 @@ Studies using ``doped``, so far - P\. A. Hyde et al. **Lithium Intercalation into the Excitonic Insulator Candidate Ta₂NiSe₅** `Inorganic Chemistry `_ 2023 - J\. Willis, K. B. Spooner, D. O. Scanlon. **On the possibility of p-type doping in barium stannate** `Applied Physics Letters `__ 2023 - J\. Cen et al. **Cation disorder dominates the defect chemistry of high-voltage LiMn** :sub:`1.5` **Ni** :sub:`0.5` **O₄ (LMNO) spinel cathodes** `Journal of Materials Chemistry A`_ 2023 -- J\. Willis & R. Claes et al. **Limits to Hole Mobility and Doping in Copper Iodide** `Chem Mater `__ 2023 +- J\. Willis & R. Claes et al. **Limits to Hole Mobility and Doping in Copper Iodide** `Chemistry of Materials `__ 2023 - I\. Mosquera-Lois & S. R. Kavanagh, A. Walsh, D. O. Scanlon **Identifying the ground state structures of point defects in solids** `npj Computational Materials`_ 2023 - Y\. T. Huang & S. R. Kavanagh et al. **Strong absorption and ultrafast localisation in NaBiS₂ nanocrystals with slow charge-carrier recombination** `Nature Communications`_ 2022 - S\. R. Kavanagh, D. O. Scanlon, A. Walsh, C. Freysoldt **Impact of metastable defect structures on carrier recombination in solar cells** `Faraday Discussions`_ 2022 -- Y-S\. Choi et al. **Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na₂Ti₃O₇** `ACS Appl. Energy Mater. `__ 2022 +- Y-S\. Choi et al. **Intrinsic Defects and Their Role in the Phase Transition of Na-Ion Anode Na₂Ti₃O₇** `ACS Applied Energy Materials `__ 2022 - S\. R. Kavanagh, D. O. Scanlon, A. Walsh **Rapid Recombination by Cadmium Vacancies in CdTe** `ACS Energy Letters `__ 2021 - C\. J. Krajewska et al. **Enhanced visible light absorption in layered Cs₃Bi₂Br₉ through mixed-valence Sn(II)/Sn(IV) doping** `Chemical Science`_ 2021 diff --git a/doped/utils/parsing.py b/doped/utils/parsing.py index b1edd26b..a81818e8 100644 --- a/doped/utils/parsing.py +++ b/doped/utils/parsing.py @@ -791,8 +791,8 @@ def _compare_incar_tags( def _compare_incar_vals(val1, val2): if isinstance(val1, str): - return val1.split()[0].lower() == val2.split()[0].lower() - if isinstance(val1, float): + return val1.split()[0].lower() == str(val2).split()[0].lower() + if isinstance(val1, (int, float)) and isinstance(val2, (int, float)): return np.isclose(val1, val2, rtol=1e-3) return val1 == val2