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Afibuzzaman, Md afibuzza
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Aktulga, H. Metin hma
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Alperen, Abdullah alperena
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Betancourt, William betanc18
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Dikbayir, Doga dikbayir
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Kaymak, Cagri kaymakme
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Kurt A. O'Hearn ohearnku
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Lingg, Michael linggmic
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Rabbi, Fazlay
rabbimd
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Rahnamoun, Ali rahnamou
- Dec 12, 2018
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Alperen, Abdullah authored
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- Dec 04, 2018
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
PuReMD-old: more clean-up of linear algebra code. Remove or conditionally enable debugging code (DEBUG preprocessor). Fix memory leak in SAI setup. Better memory allocation checks.
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- Nov 30, 2018
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Alperen, Abdullah authored
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- Nov 27, 2018
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Alperen, Abdullah authored
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Kurt A. O'Hearn authored
PuReMD-old: remove non-source junk files. Clean-up to remove debugging code for neutral territory. Conditionally toggle SpMV implementation (Sparse_MatVec) debugging on if neutral territory is selected.
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- Nov 26, 2018
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Alperen, Abdullah authored
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Alperen, Abdullah authored
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- Nov 23, 2018
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Alperen, Abdullah authored
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- Nov 22, 2018
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Alperen, Abdullah authored
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- Nov 09, 2018
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Alperen, Abdullah authored
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Alperen, Abdullah authored
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Alperen, Abdullah authored
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- Nov 08, 2018
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
Merge branch 'full-far-nbrs-list-charge-matrix' into full-far-nbrs-list-charge-matrix-half-full-refactor.
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Kurt A. O'Hearn authored
Merge branch 'full-far-nbrs-list-charge-matrix-half-full-refactor' into full-far-nbrs-list-charge-matrix-half-full-refactor2.
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Kurt A. O'Hearn authored
Fix issue with bonds list ordering leading to different torsion and conjugation energies due to changing the far neighbors list to a full list.
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- Nov 07, 2018
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
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- Nov 05, 2018
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Alperen, Abdullah authored
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
Merge branch 'full-far-nbrs-list-charge-matrix' of https://gitlab.msu.edu/SParTA/PuReMD into full-far-nbrs-list-charge-matrix.
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Kurt A. O'Hearn authored
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- Nov 03, 2018
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Alperen, Abdullah authored
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- Oct 25, 2018
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Kurt A. O'Hearn authored
PuReMD: refactor to allow selection of far range interaction Verlet list format at runtime (half or full). Similar change for symmetric charge matrix format (half or full). For SAI, toggle between half and full depending on whether it is a refactoring step.
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- Oct 24, 2018
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Kurt A. O'Hearn authored
Merge branch 'full-far-nbrs-list-charge-matrix' of https://gitlab.msu.edu/SParTA/PuReMD into full-far-nbrs-list-charge-matrix.
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Kurt A. O'Hearn authored
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Alperen, Abdullah authored
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- Oct 06, 2018
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Kurt A. O'Hearn authored
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- Oct 04, 2018
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Kurt A. O'Hearn authored
Tools: fix MPI command. Change control file generation to be in running directory (for temporary directories and files) => necessary for running with MPI (shared filesystem needed across nodes).
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Kurt A. O'Hearn authored
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- Oct 01, 2018
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Alperen, Abdullah authored
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Alperen, Abdullah authored
Merge branch 'full-far-nbrs-list-charge-matrix' of https://gitlab.msu.edu/SParTA/PuReMD into full-far-nbrs-list-charge-matrix
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- Sep 28, 2018
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Alperen, Abdullah authored
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Alperen, Abdullah authored
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- Sep 22, 2018
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
Merge branch 'full-far-nbrs-list-charge-matrix' of https://gitlab.msu.edu/SParTA/PuReMD into full-far-nbrs-list-charge-matrix.
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Kurt A. O'Hearn authored
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Alperen, Abdullah authored
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