Anna posted a comment on discussion General Discussion

Hello! When converting a .molden.input file (generated via Multiwfn from ORCA .gbw file), the output says: "WARNING: section "[7F]" is not supported!" What does this mean? Is it crucial for the calculation?

Johann Hlina posted a comment on discussion General Discussion

Dear JANPA-Users, I am having troubles interpreting the JANPA output file. I want to use JANPA to determine the orbital composition of bonding orbitals regarding the contribution of individual atomic orbitals such as 3d(z²) or 4p orbitals of the involved atoms. So could anyone direct me to a paper or any other resource to translate the notations used in the output file into classic orbital notations, please?

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JANPA released /utilities/Def2_ECP_inps.txt

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TimN posted a comment on discussion General Discussion

That can either mean that your system is actually charged, or, more probably, that the input data was prepared incorrectly. Above all, please, ensure that the number of warnings reported at the end of log file is zero.

Adil posted a comment on discussion General Discussion

Hello Dear JANPA users Help me please. JANPA gives the wrong result. The sum of the charges of the electrons and the nucleus are not equal to each other? How to fix it? Thank you for advance.

JANPA released /V2.03(pre-release)/README.txt

JANPA released /V2.03(pre-release)/README

JANPA released /V2.03(pre-release)/src.zip

JANPA released /V2.03(pre-release)/whatsnew.txt

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JANPA released /V2.03(pre-release)/LICENSE.txt

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JANPA released /V2.02/binaries.zip

JANPA released /V2.02/src.zip

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JANPA released /utilities/janpa2bonds.py

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JANPA released /v2.01/LICENSE.txt

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JANPA released /janpa2/src.zip

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JANPA released /utilities/mov2asc.py

Adnan Ali Khan posted a comment on discussion General Discussion

Hello Dear JANPA users hope you all will be fine. My question is that how I visualize...

JANPA released /V1.04_r2/whatsnew.txt

JANPA released /V1.04_r2/src.zip

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JANPA released /v1.04_r1/src.zip

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