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codes that calculate some static properties #2

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codes that calculate some static properties #2

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Commits on Jul 29, 2023

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  2. Create i

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  3. Rename ANG.cpp to Static/ANG.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  4. Update and rename ANG.h to Static/ANG.h

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    Qilu-Yuan authored Jul 29, 2023
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  5. Rename Init.cpp to Static/Init.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  6. Update and rename Init.h to Static/Init.h

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    Qilu-Yuan authored Jul 29, 2023
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  7. Rename SSF.cpp to Static/SSF.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  8. Rename SSF.h to Static/SSF.h

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    Qilu-Yuan authored Jul 29, 2023
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  9. Rename LB2.cpp to Static/LB2.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  10. Update and rename LB2.h to Static/LB2.h

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    Qilu-Yuan authored Jul 29, 2023
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  11. Rename PSP.cpp to Sttatic/PSP.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  12. Update and rename PSP.h to Static/PSP.h

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    Qilu-Yuan authored Jul 29, 2023
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  13. Rename RDF.cpp to Static/RDF.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  14. Update and rename RDF.h to Static/RDF.h

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    Qilu-Yuan authored Jul 29, 2023
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  15. Rename MID.cpp to Static/MID.cpp

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    Qilu-Yuan authored Jul 29, 2023
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  16. Update and rename MID.h to Static/MID.h

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    Qilu-Yuan authored Jul 29, 2023
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  17. Rename PSP.cpp to PSP.cpp

    @Qilu-Yuan
    Qilu-Yuan authored Jul 29, 2023
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Commits on Aug 13, 2023

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    Qilu-Yuan authored Aug 13, 2023
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  3. Delete i

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    Qilu-Yuan authored Aug 13, 2023
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Commits on Aug 15, 2023

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    Qilu-Yuan authored Aug 15, 2023
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  2. Add files via upload

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    Qilu-Yuan authored Aug 15, 2023
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Commits on Aug 16, 2023

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    Qilu-Yuan authored Aug 16, 2023
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  2. Add files via upload

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    Qilu-Yuan authored Aug 16, 2023
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  3. Add files via upload

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    Qilu-Yuan authored Aug 16, 2023
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  4. Delete 1

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    Qilu-Yuan authored Aug 16, 2023
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Commits on Sep 4, 2023

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    I have modified my code which refers to the "fix ave/time" command in LAMMPS. Specifically, I have configured three parameters: Nevery, Nrepeat, and Nfreq. These parameters allow me to select a subset of frames for calculation. For instance, with Nevery set to 2, Nrepeat set to 6, and Nfreq set to 100, the code will choose frames at intervals of 90, 92, 94, 96, 98, 100, and subsequently at 190, 192, 194, 196, 198, 200, and so on. 
I have changed the way to read the frame. I only read the coordinates which are going to be calculated.
    @Qilu-Yuan
    Qilu-Yuan authored Sep 4, 2023
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    The last PR was wrong, this one is right.
I have modified my code which refers to the "fix ave/time" command in LAMMPS. Specifically, I have configured three parameters: Nevery, Nrepeat, and Nfreq. These parameters allow me to select a subset of frames for calculation. For instance, with Nevery set to 2, Nrepeat set to 6, and Nfreq set to 100, the code will choose frames at intervals of 90, 92, 94, 96, 98, 100, and subsequently at 190, 192, 194, 196, 198, 200, and so on. 
I have changed the way to read the frame. I only read the coordinates which are going to be calculated
    @Qilu-Yuan
    Qilu-Yuan authored Sep 4, 2023
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