PuReMD: add SAI setup and computation (LAPACKE is not linked) (429f9c06) · Commits · SParTA / PuReMD · GitLab

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429f9c06

Commit 429f9c06 authored 6 years ago by Alperen, Abdullah

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PuReMD: add SAI setup and computation (LAPACKE is not linked)

parent 26da8821

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Changes 11

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PuReMD/aclocal.m4 22 additions, 22 deletions

PuReMD/aclocal.m4
PuReMD/configure.ac 33 additions, 0 deletions

PuReMD/configure.ac
PuReMD/src/allocate.c 17 additions, 0 deletions

PuReMD/src/allocate.c
PuReMD/src/allocate.h 7 additions, 1 deletion

PuReMD/src/allocate.h
PuReMD/src/basic_comm.c 33 additions, 20 deletions

PuReMD/src/basic_comm.c
PuReMD/src/basic_comm.h 1 addition, 0 deletions

PuReMD/src/basic_comm.h
PuReMD/src/init_md.c 2 additions, 2 deletions

PuReMD/src/init_md.c
PuReMD/src/linear_solvers.c 875 additions, 59 deletions

PuReMD/src/linear_solvers.c
PuReMD/src/linear_solvers.h 6 additions, 0 deletions

PuReMD/src/linear_solvers.h
PuReMD/src/qEq.c 104 additions, 74 deletions

PuReMD/src/qEq.c
PuReMD/src/reax_types.h 2 additions, 2 deletions

PuReMD/src/reax_types.h

with 1102 additions and 180 deletions

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