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nMOLDYN: nMOLDYN 3.0.8 release

Added by Pellegrini, Eric over 8 years ago

Bug fixes:
----------
- bug when setting the universe hierarchy for objects of MMTK Atom class: only the first
atom name was retained preventing from selecting the other ones from the selection dialog.
- added events grabber for the parent dialog when closing the PyroServerDialog dialog.
- added events grabber for the parent dialog when closing the SelectionDialog dialog.
- Added an error message when the documentation in PDF format could not be opened.
- nMOLDYN/Core/Monitoring.py: bug when setting the number of free procs on windows for a non
admin user.
- bug in the VASP converter when mapping the coordinates to the atomic contents
- bug in coordination number analysis when selecting a specific subset of atoms

News:
-----
- added a CASTEP to MMTK NetCDF trajectory converter.
- added the cartesian position autocorrelation function (by Konrad Hinsen))

Updates:
--------
- Changed the format for the file storing the datas exported from a plot: the 3 first lines
start now with a '#' and there is no blank line between those 3 lines and the data block.
- some small modifications in the README file about a known bug when using Pyro server
on a windows machine
- some code cleaning in nMOLDYN/Core/IO.py
- the trajectory converters dialog were redesigned by adding a generic class in top of
them.
- some changes in the repository structure

nMOLDYN: How to download the nMOLDYN repository ?

Added by Pellegrini, Eric over 8 years ago

The nMOLDYN repository is handled via SVN (SubVersioN is a system for handling software projects).

Using your favorite SVN manager (tortoise, kdesvn ...), checkout the nMOLDYN repository at the
following URL adress:

https://forge.ill.eu/svn/nmoldyn

That's all! You have just created a copy of the nMOLDYN repository in your PC.
From now, you just have to use "update" for getting the latest version, or "commit"
for sending modifications.

In order to run the svn version of nMOLDYN, you also have to download and install some unversionned
files and directories that are part of the standard nMOLDYN distribution but not useful to be versionned.

Do the following to install them in your svn version:

1 Download the svn_addons.tar.gz archive stored in the "Files" section

2 Put it in your freshly built trunk/nMOLDYN directory

2 go to your trunk/nMOLDYN directory

3 in there, enter the command: tar xzf svn_addons.tar.gz

This will install those directories in their proper location.

CrysFML: New files in CrysFML/Src/CFML (default for Intel compiler)

Added by Rodriguez-Carvajal, Juan about 9 years ago

We have added three new files containing the same module CFML_GlobalDeps but adapted to the three platforms currently supported.

The names are:

CFML_GlobalDeps_Windows.f90
CFML_GlobalDeps_Linux.f90
CFML_GlobalDeps_MacOS.f90

By default the still existing CFML_GlobalDeps.f90 (without platform specification in the name of the file) corresponds to Windows.
The scripts for Linux and MacOS have been changed accordingly. For Windows the default file CFML_GlobalDeps.f90 is used.
In all cases the function "Directory_Exist" is written for the Intel Fortran compiler. For other compilers the user should edit the file and comment (uncomment) the appropriate "inquire" statement.

CrysFML: How to download the whole CrysFML repository

Added by Rodriguez-Carvajal, Juan about 9 years ago

The CrysFML repository is handled via SVN (SubVersioN is a system for handling software projects).
It is not necessary to know the whole set of SVN commands for working with the system. The best solution is to use a GUI for SVN, the simplest GUIs I know are "Tortoise" for Windows (http://tortoisesvn.net/downloads) and "kdesvn" for Linux (use your software manager to install it). "Tortoise" and "kdesvn" are integrated in the explorer of the system and their functioning is quite close.

Using Tortoise/kdesvn you have to do the following:
1: Install Tortoise/kdesvn in your PC (the PC should be restarted in Windows)
2: Create in your PC an empty directory (e.g. c:\CrysFML, ~/CrysFML)
3: Click with the right button of your mouse on the icon of the just created directory. A contextual menu appears (If you are using "kdesvn" in Linux, when clicking with the right button on the icon of the directory, go to Actions > Subversion … etc).
4: Select "Checkout"
5: Introduce as URL of the repository: http://forge.epn-campus.eu/svn/crysfml
6: Click on OK
That's all! You have just created a copy of the CrysFML repository in your PC.
From now, you just have to use "update" for getting the latest version, or "commit"
for sending modifications.

(21-28/28)

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