sPuReMD: fix Jacobi iteration. Other minor fixes.
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- puremd_rc_1003/sPuReMD/GMRES.c 85 additions, 126 deletionspuremd_rc_1003/sPuReMD/GMRES.c
- puremd_rc_1003/sPuReMD/GMRES.h 6 additions, 0 deletionspuremd_rc_1003/sPuReMD/GMRES.h
- puremd_rc_1003/sPuReMD/QEq.c 14 additions, 6 deletionspuremd_rc_1003/sPuReMD/QEq.c
- puremd_rc_1003/sPuReMD/allocate.h 2 additions, 0 deletionspuremd_rc_1003/sPuReMD/allocate.h
- puremd_rc_1003/sPuReMD/analyze.c 3 additions, 2 deletionspuremd_rc_1003/sPuReMD/analyze.c
- puremd_rc_1003/sPuReMD/param.c 8 additions, 2 deletionspuremd_rc_1003/sPuReMD/param.c
- puremd_rc_1003/sPuReMD/pdb_tools.c 26 additions, 7 deletionspuremd_rc_1003/sPuReMD/pdb_tools.c
- puremd_rc_1003/sPuReMD/testmd.c 22 additions, 2 deletionspuremd_rc_1003/sPuReMD/testmd.c
- puremd_rc_1003/sPuReMD/vector.c 160 additions, 78 deletionspuremd_rc_1003/sPuReMD/vector.c
- puremd_rc_1003/sPuReMD/vector.h 40 additions, 40 deletionspuremd_rc_1003/sPuReMD/vector.h
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