Commits · f10d1877cc2a5cf4a735a4a9efc3abfccbc10895 · qbox / qbox-public

01 Feb, 2016 1 commit
- Moved sync_positions and sync_velocities calls to the AtomSet set_positions · 6e6c912a
```
and set_velocities functions


git-svn-id: http://qboxcode.org/svn/qb/trunk@1801 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 01, 2016
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08 Apr, 2012 1 commit
- added cstdlib include for drand48 · b54d90aa
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@1114 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 08, 2012
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18 Sep, 2011 1 commit
- synchronize positions and velocities · a21b94ad
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@989 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 18, 2011
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16 Apr, 2010 1 commit
- Bussi-Donadio-Parrinello thermostat · cbbbd1df
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@782 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 16, 2010
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15 May, 2009 1 commit
- Corrected calculation of ionic kinetic energy for use with constraints · 494c3a04
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@699 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 15, 2009
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08 Sep, 2008 1 commit
- removed trailing blanks · 783c2a3d
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@644 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Sep 08, 2008
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13 Aug, 2008 1 commit


git-svn-id: http://qboxcode.org/svn/qb/trunk@638 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Aug 13, 2008

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06 Jun, 2008 1 commit

fixed comment · 705ec60b


git-svn-id: http://qboxcode.org/svn/qb/trunk@619 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Jun 06, 2008

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26 Mar, 2008 1 commit

rel1_40_0 · dafe9852


git-svn-id: http://qboxcode.org/svn/qb/trunk@588 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 26, 2008

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21 Mar, 2008 1 commit
- Fixed collision probability in LOWE and ANDERSEN thermostats · 449cb97a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@581 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 21, 2008
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05 Mar, 2008 1 commit

rel1_38_0 · 79d6edd6


git-svn-id: http://qboxcode.org/svn/qb/trunk@576 cba15fb0-1239-40c8-b417-11db7ca47a34

committed Mar 05, 2008

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12 Feb, 2008 1 commit
- Cleaned up XML output format. Removed comments. Added <timing> tag. · cb28c0e6
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@574 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Feb 12, 2008
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19 Oct, 2007 1 commit
- removed trailing blanks in *.[Ch] *.mk Makefile · ce7baae5
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@515 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Oct 19, 2007
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17 Mar, 2007 2 commits
- 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 File
- 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
```
  Francois Gygi committed Mar 17, 2007
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05 Nov, 2006 1 commit
- corrected misspelled ANDERSEN · b03c39fe
```
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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22 Aug, 2006 1 commit
- 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
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27 Jun, 2005 1 commit
- new IonicStepper logic. · 9b68a022
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@413 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Jun 27, 2005
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31 May, 2005 1 commit

typo · 7d43498f


git-svn-id: http://qboxcode.org/svn/qb/trunk@397 cba15fb0-1239-40c8-b417-11db7ca47a34

committed May 31, 2005

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20 May, 2004 1 commit
- Fixed initialization of ekin_ in compute_v0 · 3276c6e5
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@228 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 20, 2004
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03 May, 2004 1 commit
- Fixed bug: thermostat not working · 0279043a
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@207 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed May 03, 2004
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20 Apr, 2004 1 commit
- print thermostat diagnostic data · e0aed40e
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@199 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Apr 20, 2004
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11 Mar, 2004 1 commit
- release 1.13.0 Implemented stress calculation · e229a784
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@181 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Mar 11, 2004
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02 Dec, 2003 1 commit
- Fixed initialization of eta_ · d444a8f1
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@148 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Dec 02, 2003
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27 Nov, 2003 1 commit
- Moved temp() to IonicStepper. Compute ekin during updates. · d6a82a8e
```
git-svn-id: http://qboxcode.org/svn/qb/trunk@136 cba15fb0-1239-40c8-b417-11db7ca47a34
```
  Francois Gygi committed Nov 27, 2003
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21 Nov, 2003 1 commit
- New classes for the SampleStepper hierarchy · d583b5d3
```
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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