Commits · 0b9383107abfe5243e3f79167be9ce9d236e198e · qbox / qbox-public

29 May, 2006 1 commit
- added timing in ortho_align · 63c6fdb9
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git-svn-id: http://qboxcode.org/svn/qb/trunk@444 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 29, 2006
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16 Sep, 2005 1 commit
- Use value of CHOLESKY_REMAP macro (if defined) to set size of square context. · 2d5c4da3
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git-svn-id: http://qboxcode.org/svn/qb/trunk@420 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 16, 2005
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31 May, 2005 1 commit
- randomize: return if basis is zero · 3983d5dd
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git-svn-id: http://qboxcode.org/svn/qb/trunk@398 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 31, 2005
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17 Mar, 2005 1 commit
- use PLT_BIG_ENDIAN macro · a937907f
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git-svn-id: http://qboxcode.org/svn/qb/trunk@365 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 17, 2005
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08 Feb, 2005 1 commit
- fix bug introduced in 1.24.0 in gram (Cholesky remap) · 78d388f1
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git-svn-id: http://qboxcode.org/svn/qb/trunk@358 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 08, 2005
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04 Feb, 2005 1 commit

added CHOLESKY_REMAP macro in gram. · 4de1ab14

rewritten write and print members to avoid MPI deadlocks (BGL)


git-svn-id: http://qboxcode.org/svn/qb/trunk@353 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Feb 04, 2005

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10 Nov, 2004 1 commit

defined my_col_ctxt_ to store single column Context.Context allocation done with… · 942970fc

defined my_col_ctxt_ to store single column Context.Context allocation done with one call per column, to conform to MPI standard rules (MPI_Comm_create must be called on all tasks with the same arguments).


git-svn-id: http://qboxcode.org/svn/qb/trunk@295 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 10, 2004

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28 Oct, 2004 1 commit

Reorganized timers · 0f4669cc


git-svn-id: http://qboxcode.org/svn/qb/trunk@278 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 28, 2004

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15 Oct, 2004 1 commit
- print sdcontext dimensions in SlaterDet::info. · b830761a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@267 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 15, 2004
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04 Oct, 2004 1 commit

Fixed incorrect allocation of b buffer in print and write. Removed an… · fa4afe9d

Fixed incorrect allocation of b buffer in print and write. Removed an unnecessary calculation in align.


git-svn-id: http://qboxcode.org/svn/qb/trunk@263 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Oct 04, 2004

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14 Sep, 2004 1 commit

rel1_18_0 · 16e264d0


git-svn-id: http://qboxcode.org/svn/qb/trunk@251 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Sep 14, 2004

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11 Aug, 2004 1 commit

rel_1_17_0 · d49d2dd2


git-svn-id: http://qboxcode.org/svn/qb/trunk@243 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Aug 11, 2004

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20 Apr, 2004 1 commit
- Removed test of cell < refcell during resize. · 46150d88
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@202 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 20, 2004
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17 Apr, 2004 1 commit
- New orthogonalization and alignment functions · c8d415f5
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git-svn-id: http://qboxcode.org/svn/qb/trunk@191 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 17, 2004
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11 Mar, 2004 1 commit
- modified to avoid resetting the coeffs when cell changes and basis set is unchanged · 54f5ebae
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git-svn-id: http://qboxcode.org/svn/qb/trunk@178 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 11, 2004
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04 Feb, 2004 1 commit
- removed ekin calculation from SlaterDet · 5095700d
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git-svn-id: http://qboxcode.org/svn/qb/trunk@170 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 04, 2004
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04 Dec, 2003 1 commit
- rel1_11_2 Fixed buffer allocation problem in SlaterDet::write · 189ccd91
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git-svn-id: http://qboxcode.org/svn/qb/trunk@154 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 04, 2003
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27 Nov, 2003 1 commit
- Added dot product member function · 35a47d47
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git-svn-id: http://qboxcode.org/svn/qb/trunk@127 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 27, 2003
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21 Nov, 2003 1 commit

Modified info function · 0a582366


git-svn-id: http://qboxcode.org/svn/qb/trunk@117 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 21, 2003

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02 Oct, 2003 1 commit
- Remove obsolete comment · 161ff8ba
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git-svn-id: http://qboxcode.org/svn/qb/trunk@101 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 02, 2003
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