1-----------------------------------------------------------------
2October 24, 2013   Alberto Garcia    trunk-445--pexsi-50--matio-6
3Fix bug in dmbs2dm. Change name of argument to write_mat
4
5* A record was missing in the conversion to classic DM format by
6Util/DensityMatrix/dmbs2dm.
7
8* The optional argument to signal blocked operation in write_mat in
9module m_matio has been changed from "historical" to "compatible".
10
11modified:
12  Src/m_iodm.F
13  Src/m_matio.F90
14  Src/overlap.f
15  Src/save_density_matrix.F
16  Util/DensityMatrix/dmbs2dm.F90
17
18-----------------------------------------------------------------
19October 23, 2013   Alberto Garcia    trunk-445--pexsi-50--matio-5
20Write converter from blocked to non-blocked and deploy
21
22The newly re-organized DM and H information is now written
23to file in "blocked format" by default, unless the option
24
25       Use.Blocked.WriteMat F
26
27is used.
28
29The new format is not backwards compatible. A converter
30program (Util/DensityMatrix/dmbs2dm.F90) has been written
31to post-process those files intended for further analysis
32or re-use in Siesta. This is the best option for now, since
33it allows liberal checkpointing with a much smaller time
34consumption, and only incurs costs when re-using or analyzing
35files.
36
37Note that TranSiesta will continue to produce .DM files,
38in the old format (See save_density_matrix.F)
39
40( To test the new features, the option
41
42 S.Only T
43
44can be used. It will produce three files: a standard one,
45another one with optimized MPI communications, and a third,
46blocked one.
47)
48
49
50added:
51  Util/DensityMatrix/dmbs2dm.F90
52  Util/DensityMatrix/f2kcli.F90
53  Util/DensityMatrix/m_getopts.f90
54modified:
55  Src/Makefile
56  Src/m_iodm.F
57  Src/save_density_matrix.F
58  Util/DensityMatrix/makefile
59
60-----------------------------------------------------------------
61October 22, 2013   Alberto Garcia    trunk-445--pexsi-50--matio-4
62Use larger chunks for file writes
63
64The information in a whole "blocksize"-worth of data is now
65written to a single record on disk. This speeds up the I/O
66significantly.
67
68The new format is not backwards compatible. A new reading routine
69(possibly with on-the-fly blocksize changes) has to be written.
70
71modified:
72  Src/Makefile
73  Src/m_matio.F90
74  Src/overlap.f
75  Src/siesta_forces.F
76