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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
- 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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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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- Sep 20, 2018
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Kurt A. O'Hearn authored
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- Sep 19, 2018
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Alperen, Abdullah authored
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- Sep 15, 2018
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Alperen, Abdullah authored
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- Sep 13, 2018
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Alperen, Abdullah authored
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- Sep 11, 2018
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Alperen, Abdullah authored
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- Sep 08, 2018
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Kurt A. O'Hearn authored
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- Sep 07, 2018
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Alperen, Abdullah authored
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Alperen, Abdullah authored
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- Aug 28, 2018
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Alperen, Abdullah authored
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- Aug 19, 2018
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Alperen, Abdullah authored
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- Jul 31, 2018
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Alperen, Abdullah authored
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- Jul 15, 2018
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Alperen, Abdullah authored
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- Jun 14, 2018
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Kurt A. O'Hearn authored
sPuReMD: backport changes for reax_list, struct declaration/definition separation, interaction_function.
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- May 30, 2018
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Kurt A. O'Hearn authored
PG-PuReMD: fix function pointers for bonded forces. Declare constants appropriately in bonded force computations. Fix sym_index computation for bond list. Other code clean-up.
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- May 29, 2018
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Kurt A. O'Hearn authored
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Kurt A. O'Hearn authored
PG-PuReMD: update build system for LAPACKE. Conditionally include LAPACKE header based on results of compilation.
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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
PG-PuReMD: fix initial list offsets for creating lists. Fix far neighbor and hydrogen bond reallocation checks. Begin refactoring function defitions and declarations to allow compiler to enforce intentions of pointer usage.
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