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improve upon text of HPCBIOS_2012-80
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Signed-off-by: Fotis Georgatos <[email protected]>
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fgeorgatos committed Jul 25, 2015
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Expand Up @@ -5,9 +5,9 @@ HPCBIOS_2012-80: Common Set of DFT codes

.. note::

Providing (a subset of) popular DFT codes is nearly imperative for most HPC sites.
This is an work-in-progress effort to provide the candidate list as a set.
There is no particular level of compliance as of yet (all list is "SHOULD" status).
Providing (a subset of) popular DFT codes is nearly imperative for most general purpose HPC sites.
This is a work-in-progress effort to provide a candidate list, as a single set.
There is no particular level of compliance as of yet (all list is at "SHOULD" status).

* BC Policy: HPCBIOS_2012-80
* Date of Policy: 2012-12-15
Expand Down Expand Up @@ -110,21 +110,21 @@ Molecular codes
+------------------------+----------------------------------------------------------------------+
| Jaguar | http://www.schrodinger.com/Products/jaguar.html |
+------------------------+----------------------------------------------------------------------+
| GAMESS | http://www.msg.chem.iastate.edu/gamess |
| **GAMESS-US** | http://www.msg.chem.iastate.edu/gamess |
+------------------------+----------------------------------------------------------------------+
| QCHEM | http://www.q-chem.com |
+------------------------+----------------------------------------------------------------------+
| NRLMOL | http://quantum.utep.edu/nrlmol/nrlmol.html |
+------------------------+----------------------------------------------------------------------+
| MondoSCF | http://www.t12.lanl.gov/home/mchalla |
+------------------------+----------------------------------------------------------------------+
| ADF - SCM | http://www.scm.com |
| **ADF** | http://www.scm.com |
+------------------------+----------------------------------------------------------------------+
| deMon | http://www.demon-software.com |
+------------------------+----------------------------------------------------------------------+
| CADPAC | http://www-theor.ch.cam.ac.uk/software/caddoc.html |
+------------------------+----------------------------------------------------------------------+
| **PYQUANTE** | http://pyquante.sourceforge.net |
| **PyQuante** | http://pyquante.sourceforge.net |
+------------------------+----------------------------------------------------------------------+
| TURBOMOLE | http://www.cosmologic.de/QuantumChemistry/main_qChemistry.html |
+------------------------+----------------------------------------------------------------------+
Expand Down Expand Up @@ -175,8 +175,7 @@ Useful links

.. note::

The current form of the policy currently does not specify 32 bit vs 64
bit version, though it is expected that the native architecture of a
given system (typically 64 bits) is supported as the default target,
while the other is optional but desired to have (typically 32 bits).
The current form of this policy does not specify 32 bit vs 64 bit or any other architecture,
though it is expected that the native architecture of a
given system (typically a 64 bit variant) is supported as the default target.

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