[h5md-commit] branch master updated. e5e862ed8dd46a97d26fdcb2303bcec23f61ec96

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- Log -----------------------------------------------------------------
commit e5e862ed8dd46a97d26fdcb2303bcec23f61ec96
Author:     Pierre de Buyl <address@hidden>
AuthorDate: Mon Aug 13 17:40:46 2012 +0200
Commit:     Pierre de Buyl <address@hidden>
CommitDate: Mon Aug 13 17:40:46 2012 +0200

    Specified the name of the "units" attribute in the trajectory group.
---
 draft.rst |    3 ++-
 1 files changed, 2 insertions(+), 1 deletions(-)

diff --git a/draft.rst b/draft.rst
index 41abc24..c64861e 100644
--- a/draft.rst
+++ b/draft.rst
@@ -154,7 +154,8 @@ Fortran program will declare a r(D,N) array (appropriate 
index ordering for a
 N atoms D dimensions system) and the hdf5 file will be the same.
 
 The "position", "velocity" and "force" datasets possess an optional attribute
-that is the unit of their respective data ("nm" for the position, for 
instance).
+"units" that gives the units of their respective data ("nm" for the position,
+for instance).
 
 The content of the trajectory group is the following::
 

commit 9b70b6ae561e0df374b1e40882bfbc6823d5edfa
Author:     Pierre de Buyl <address@hidden>
AuthorDate: Mon Aug 13 17:34:58 2012 +0200
Commit:     Pierre de Buyl <address@hidden>
CommitDate: Mon Aug 13 17:34:58 2012 +0200

    Removed the "profiling" group from the draft, its inclusion is not relevant 
at
    this time.
    
    Only "parameters" is a program-dependent group, it has been promoted in the
    document hierarchy by one level.
---
 draft.rst |   15 ++++-----------
 1 files changed, 4 insertions(+), 11 deletions(-)

diff --git a/draft.rst b/draft.rst
index 7a9fd25..41abc24 100644
--- a/draft.rst
+++ b/draft.rst
@@ -267,22 +267,15 @@ The content of the observables group is the following::
      |         \-- time
      \-- ...
 
-Program-dependent groups
-------------------------
 
-Some informations do not adequately fit a strict specification and can be
-included in groups whose name is however specified. These names are listed 
here.
-
-Parameters
-^^^^^^^^^^
+Parameters group
+----------------
 
 The "parameters" group may contain all parameters passed to initialize the
 simulation. Example are: temperature, random number generator seed, initial box
 size, ...
 
-Profiling
-^^^^^^^^^
+The "parameters" group does not fit a strict specification and is considered
+program-depedent.
 
-The "profiling" group may contain information related to the timing of various
-parts of the simulation.
 

commit 05c78ca8849c17dc69335ed62dbd313d29bb42cd
Author:     Pierre de Buyl <address@hidden>
AuthorDate: Mon Aug 13 17:31:20 2012 +0200
Commit:     Pierre de Buyl <address@hidden>
CommitDate: Mon Aug 13 17:31:20 2012 +0200

    The optional character of most groups in a file is made explicit in the
    specification.
---
 draft.rst |    6 +++++-
 1 files changed, 5 insertions(+), 1 deletions(-)

diff --git a/draft.rst b/draft.rst
index 9b7cf91..7a9fd25 100644
--- a/draft.rst
+++ b/draft.rst
@@ -40,7 +40,11 @@ obtain either a snapshot of the system at a given time or 
extract a single
 trajectory via dataset slicing.
 
 The file is allowed to possess non-conforming groups that contain other
-information such as simulation parameters.
+information such as simulation parameters. Only the "h5md" group is mandatory 
in
+a H5MD file. The other data groups are optional, allowing the user to store 
only
+relevant data. Inside each group, every dataset is again optional. Within
+time-dependent groups, the "step", "time" and "value" datasets are however
+mandatory as they form an important part of the specification.
 
 The groups that are part of the H5MD specifications are
 

-----------------------------------------------------------------------

Summary of changes:
 draft.rst |   24 +++++++++++-------------
 1 files changed, 11 insertions(+), 13 deletions(-)


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