Commits · 0a4f3c771617ea228cd8e7db8222115da0e787a3 · qbox / qbox-public

27 Nov, 2003 3 commits
- Fixed bug in reading of density matrix for wavefunction velocity · 0a4f3c77
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git-svn-id: http://qboxcode.org/svn/qb/trunk@129 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 27, 2003
  0a4f3c77 Browse Directory
- Changed prototype of ddot using const · 65d80283
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git-svn-id: http://qboxcode.org/svn/qb/trunk@128 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 27, 2003
  65d80283 Browse Directory
- 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
  35a47d47 Browse Directory
21 Nov, 2003 12 commits
- new SampleStepper hierarchy · 3da75753
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git-svn-id: http://qboxcode.org/svn/qb/trunk@124 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
  3da75753 Browse Directory
- New classes for the SampleStepper hierarchy · d583b5d3
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git-svn-id: http://qboxcode.org/svn/qb/trunk@123 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Converted dmat_tmp from valarray to vector · 02d4895e
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git-svn-id: http://qboxcode.org/svn/qb/trunk@122 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Converted occ from valarray to vector · bf4b3a78
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git-svn-id: http://qboxcode.org/svn/qb/trunk@121 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
  bf4b3a78 Browse Directory
- Added USE_FFTW macro · 716ab3a8
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@120 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Converted dmat member from valarray to vector · 4c1d4aac
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git-svn-id: http://qboxcode.org/svn/qb/trunk@119 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Added nite control variable · afc71462
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git-svn-id: http://qboxcode.org/svn/qb/trunk@118 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Modified info function · 0a582366
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git-svn-id: http://qboxcode.org/svn/qb/trunk@117 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
  0a582366 Browse Directory
- Modified print and info functions · e3f7be40
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git-svn-id: http://qboxcode.org/svn/qb/trunk@116 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
  e3f7be40 Browse Directory
- converted occ and eig from valarray to vector · ac7fb4af
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git-svn-id: http://qboxcode.org/svn/qb/trunk@115 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Link to /usr/apps shared library. · 748c5578
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git-svn-id: http://qboxcode.org/svn/qb/trunk@114 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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- Modified get_positions/get_velocities to resize output array if wrong size. · e727c76f
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git-svn-id: http://qboxcode.org/svn/qb/trunk@113 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 21, 2003
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20 Nov, 2003 6 commits

Replaced tau by vel in arguments of get/set_velocities (typo) · 26a2b536
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git-svn-id: http://qboxcode.org/svn/qb/trunk@112 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 20, 2003
26a2b536 Browse Directory
Removed unused variables. · bc2a2a69
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git-svn-id: http://qboxcode.org/svn/qb/trunk@111 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 20, 2003
bc2a2a69 Browse Directory

Replaced LINUX and AIX macros with more appropriate USE_FFTW and USE_ESSL macros. · a8d9dd47

Removed old (and probably incorrect) OSF1 macros.
Re-enabled the NO_FFT_LIB code in case no library is available (for testing only).

git-svn-id: http://qboxcode.org/svn/qb/trunk@110 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 20, 2003

a8d9dd47 Browse Directory

Removed test on 2x2 matrix. Initialization on all processors was incorrect when… · 753b4e21

Removed test on 2x2 matrix. Initialization on all processors was incorrect when the 2x2 matrix fits on a single node (the most common situation)


git-svn-id: http://qboxcode.org/svn/qb/trunk@109 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Nov 20, 2003

753b4e21 Browse Directory

Switched initialization order in constructors · 8f40db86
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git-svn-id: http://qboxcode.org/svn/qb/trunk@108 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 20, 2003
8f40db86 Browse Directory
Added #if USE_MPI for use on single node · 799fdb60
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git-svn-id: http://qboxcode.org/svn/qb/trunk@107 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Nov 20, 2003
799fdb60 Browse Directory

02 Oct, 2003 5 commits
- rel1_9_0 · e5e2ecb2
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git-svn-id: http://qboxcode.org/svn/qb/trunk@105 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 02, 2003
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- rel1_9_0 Fixed large file support, occupation numbers. · 66796061
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git-svn-id: http://qboxcode.org/svn/qb/trunk@104 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 02, 2003
  66796061 Browse Directory
- MCR specific makefile · ca0b4e9b
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git-svn-id: http://qboxcode.org/svn/qb/trunk@103 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 02, 2003
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- Large file support flags to use <cstdio> functions · a713a40b
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git-svn-id: http://qboxcode.org/svn/qb/trunk@102 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 02, 2003
  a713a40b Browse Directory
- 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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