Commits · bf1d090b3ff94a304debf75fa3aaf3c47ce36286 · qbox / qbox-public

17 Mar, 2007 5 commits

rel1_32_0 · bf1d090b


git-svn-id: http://qboxcode.org/svn/qb/trunk@492 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 17, 2007

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Modif to allow negative time steps · a65c6441
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@491 cba15fb0-1239-40c8-b417-11db7ca47a34
```
Francois Gygi committed Mar 17, 2007
a65c6441 Browse Files

rel1_32_0 · 642f6c00


git-svn-id: http://qboxcode.org/svn/qb/trunk@490 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 17, 2007

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cleanup namespaces in headers. Reduced dependency on Sample.h. Moved · e2341411

facs, sigmas parameters to ConfinementPotential.


git-svn-id: http://qboxcode.org/svn/qb/trunk@489 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 17, 2007

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cleanup headers · 111a6e6b


git-svn-id: http://qboxcode.org/svn/qb/trunk@488 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 17, 2007

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27 Jan, 2007 8 commits
- Corrected constness of some member functions. · 875475cb
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@487 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  875475cb Browse Files
- Moved printing of eigenvalues out of Wavefunction::diag. · 75c3da54
```
Corrected constness of some member functions.


git-svn-id: http://qboxcode.org/svn/qb/trunk@486 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  75c3da54 Browse Files
- Use SampleWriter. · 7bce03a7
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@485 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
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- removed facs, sigmas variables from ctor · 04af7a49
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@484 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  04af7a49 Browse Files
- removed facs, sigmas variables from Control.h · f4c0a06d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@483 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  f4c0a06d Browse Files
- removed Sample.h dependency · ae688b96
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@482 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  ae688b96 Browse Files
- corrected const-ness · 56cc7d07
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@481 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  56cc7d07 Browse Files
- *** empty log message *** · 1153a13c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@480 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jan 27, 2007
  1153a13c Browse Files
05 Nov, 2006 1 commit
- corrected misspelled ANDERSEN · b03c39fe
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git-svn-id: http://qboxcode.org/svn/qb/trunk@478 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 05, 2006
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04 Nov, 2006 6 commits
- rel1_30_1 · 0b938310
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@477 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  0b938310 Browse Files
- initialize with zero in ctor · 8f897d48
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@476 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  8f897d48 Browse Files
- Changed default value to 1.0 · 4fce34de
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@475 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  4fce34de Browse Files
- Moved Kerker preconditioning of charge density update · 9fdcabfe
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@474 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  9fdcabfe Browse Files
- implement special case of fewer blocks than process columns. · addf26d7
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@473 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  addf26d7 Browse Files
- fixed bug in boundary adjustment · e33d8dde
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@472 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 04, 2006
  e33d8dde Browse Files
06 Sep, 2006 1 commit
- *** empty log message *** · 8c168b8a
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git-svn-id: http://qboxcode.org/svn/qb/trunk@471 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 06, 2006
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22 Aug, 2006 5 commits
- rel1_30_0 · 616598ca
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@469 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 22, 2006
  616598ca Browse Files
- New thermostat options: SCALING ANDERSON LOWE OFF · 25c5a3f5
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@468 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 22, 2006
  25c5a3f5 Browse Files
- New reset_vcm command · 60604bea
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@467 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 22, 2006
  60604bea Browse Files
- Print center-of-mass velocity. · ea65150c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@466 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 22, 2006
  ea65150c Browse Files
- Added center-of-mass velocity functions. · 101ee4fa
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@465 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Aug 22, 2006
  101ee4fa Browse Files
25 Jul, 2006 3 commits
- rel1_29_1 · 79bbb99c
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@463 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 25, 2006
  79bbb99c Browse Files
- added tests to avoid div by zero if no local grid · e1f77e02
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@462 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 25, 2006
  e1f77e02 Browse Files
- Implemented NTC and ASP extrapolation schemes. · 384057a2
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@461 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 25, 2006
  384057a2 Browse Files
21 Jul, 2006 9 commits
- remove unneded cmm initialization · d2cab1e6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@460 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  d2cab1e6 Browse Files
- *** empty log message *** · b8e10b2f
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@458 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  b8e10b2f Browse Files
- rel_1_29_0 · 36daae2a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@457 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  36daae2a Browse Files
- removed empty file · ce64d108
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@456 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  ce64d108 Browse Files
- modified to allow arbitrary values · c3d17863
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@455 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  c3d17863 Browse Files
- implemented NTC extrapolation, activated using debug variable · 7104f3e0
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@454 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  7104f3e0 Browse Files
- jacobi diagonalization · 83def1bb
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git-svn-id: http://qboxcode.org/svn/qb/trunk@453 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  83def1bb Browse Files
- fixed missing #define · cc704db4
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git-svn-id: http://qboxcode.org/svn/qb/trunk@452 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  cc704db4 Browse Files
- Added jacobi diagonalization option · 7c44e0bf
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@451 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jul 21, 2006
  7c44e0bf Browse Files
03 Jun, 2006 2 commits

rel1_28_2 · 842597f7


git-svn-id: http://qboxcode.org/svn/qb/trunk@449 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jun 03, 2006

842597f7 Browse Files

rel1_28_1 · 2ed33696


git-svn-id: http://qboxcode.org/svn/qb/trunk@448 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jun 03, 2006

2ed33696 Browse Files