Commits · 79bbb99ca39f482db52e5ef69de896d2770d23ae · qbox / qbox-public

25 Jul, 2006 3 commits
- rel1_29_1 · 79bbb99c
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git-svn-id: http://qboxcode.org/svn/qb/trunk@463 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 25, 2006
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- added tests to avoid div by zero if no local grid · e1f77e02
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git-svn-id: http://qboxcode.org/svn/qb/trunk@462 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 25, 2006
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- Implemented NTC and ASP extrapolation schemes. · 384057a2
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git-svn-id: http://qboxcode.org/svn/qb/trunk@461 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 25, 2006
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21 Jul, 2006 9 commits
- remove unneded cmm initialization · d2cab1e6
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git-svn-id: http://qboxcode.org/svn/qb/trunk@460 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- *** empty log message *** · b8e10b2f
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git-svn-id: http://qboxcode.org/svn/qb/trunk@458 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- rel_1_29_0 · 36daae2a
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git-svn-id: http://qboxcode.org/svn/qb/trunk@457 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- removed empty file · ce64d108
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git-svn-id: http://qboxcode.org/svn/qb/trunk@456 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- modified to allow arbitrary values · c3d17863
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git-svn-id: http://qboxcode.org/svn/qb/trunk@455 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- implemented NTC extrapolation, activated using debug variable · 7104f3e0
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git-svn-id: http://qboxcode.org/svn/qb/trunk@454 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- jacobi diagonalization · 83def1bb
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git-svn-id: http://qboxcode.org/svn/qb/trunk@453 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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- fixed missing #define · cc704db4
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  Francois Gygi committed Jul 21, 2006
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- Added jacobi diagonalization option · 7c44e0bf
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git-svn-id: http://qboxcode.org/svn/qb/trunk@451 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jul 21, 2006
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03 Jun, 2006 1 commit

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 Directory

29 May, 2006 4 commits
- rel1_28_2 · 7c3f3177
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git-svn-id: http://qboxcode.org/svn/qb/trunk@447 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 29, 2006
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- removed angle brackets from processor name on BGL for XML compatibility · c6c0bbec
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git-svn-id: http://qboxcode.org/svn/qb/trunk@446 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 29, 2006
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- updated testMatrix entry. · 015306d8
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added testjacobi


git-svn-id: http://qboxcode.org/svn/qb/trunk@445 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 29, 2006
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- 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
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  Francois Gygi committed May 29, 2006
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13 May, 2006 6 commits
- removed xlink namespace for href · 7c76f0ea
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git-svn-id: http://qboxcode.org/svn/qb/trunk@443 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 13, 2006
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- removed xlink namespace in sample file · e053137d
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git-svn-id: http://qboxcode.org/svn/qb/trunk@442 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 13, 2006
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- use char buffer to read file · 61153cd1
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git-svn-id: http://qboxcode.org/svn/qb/trunk@441 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 13, 2006
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- edit comments · 9b1e3111
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  Francois Gygi committed May 13, 2006
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- edit comment · 8c4885d8
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git-svn-id: http://qboxcode.org/svn/qb/trunk@439 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 13, 2006
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- initialize nel in ctor · 5786c7e4
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git-svn-id: http://qboxcode.org/svn/qb/trunk@438 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed May 13, 2006
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07 Mar, 2006 10 commits
- changed namespace to fpmd · a08d0abe
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git-svn-id: http://qboxcode.org/svn/qb/trunk@434 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- rel1_27_1 · 94b34632
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git-svn-id: http://qboxcode.org/svn/qb/trunk@432 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
  94b34632 Browse Directory
- updated qbox header · 07bd51e0
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git-svn-id: http://qboxcode.org/svn/qb/trunk@431 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- update to comply with SlaterDet interface · 9d51b6eb
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git-svn-id: http://qboxcode.org/svn/qb/trunk@430 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- test that enough nodes are present before calling ctor · dfcfb152
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git-svn-id: http://qboxcode.org/svn/qb/trunk@429 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- debugged single-node version · 6eda1b90
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git-svn-id: http://qboxcode.org/svn/qb/trunk@428 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- debugged allocation calls in single-node version · e10f14b2
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git-svn-id: http://qboxcode.org/svn/qb/trunk@427 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- updated dependences for testSlaterDet · 07047c3d
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git-svn-id: http://qboxcode.org/svn/qb/trunk@426 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- added debug msg in ContextRep ctor · 68114a22
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git-svn-id: http://qboxcode.org/svn/qb/trunk@425 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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- avoid unnecessary operation in sync function for single-node version · 9c385f33
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git-svn-id: http://qboxcode.org/svn/qb/trunk@424 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Mar 07, 2006
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16 Sep, 2005 4 commits
- Redesign of constraints. · b305d27b
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git-svn-id: http://qboxcode.org/svn/qb/trunk@422 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Sep 16, 2005
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- Removed ListConstraintCmd command. · 3dcc6e96
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git-svn-id: http://qboxcode.org/svn/qb/trunk@421 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Sep 16, 2005
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- 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
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  Francois Gygi committed Sep 16, 2005
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- corrected allocation for case where ndofs!=3*natoms (constraints) · ff224489
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git-svn-id: http://qboxcode.org/svn/qb/trunk@419 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Sep 16, 2005
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27 Jun, 2005 3 commits
- rel 1.26.0 · 61b546ab
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git-svn-id: http://qboxcode.org/svn/qb/trunk@417 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jun 27, 2005
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- release 1.26.0 · a693050d
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git-svn-id: http://qboxcode.org/svn/qb/trunk@416 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jun 27, 2005
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- New functions for AtomSet manipulation and measurement. · bf678ace
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git-svn-id: http://qboxcode.org/svn/qb/trunk@415 cba15fb0-1239-40c8-b417-11db7ca47a34
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  Francois Gygi committed Jun 27, 2005
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