User contributions
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- 17:42, 27 May 2016 (diff | hist) . . (+410) . . HowTo:nwchem (→Submitting (parallel) Gaussian jobs)
- 17:39, 27 May 2016 (diff | hist) . . (+194) . . HowTo:nwchem (→NWChem)
- 17:32, 27 May 2016 (diff | hist) . . (-2) . . HowTo:nwchem (→Gaussian)
- 17:32, 27 May 2016 (diff | hist) . . (+8,059) . . N HowTo:nwchem (Created page with "= Gaussian = This is a short "Frequently Asked Questions" file on using the parallel electronic-structure code "NWChem" on systems at the Centre for Advanced Computing. This...")
- 17:29, 27 May 2016 (diff | hist) . . (+12) . . Software:nwchem (→NWChem)
- 17:28, 27 May 2016 (diff | hist) . . (+1,092) . . N Software:nwchem (Created page with "== NWChem == {| style="border-spacing: 8px;" NWChem is a computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conven...")
- 17:24, 27 May 2016 (diff | hist) . . (+880) . . N Software:cpmd (Created page with "== Car-Parinello Molecular Dynamics (CPMD) == {| style="border-spacing: 8px;" The CPMD code is a parallelized plane wave/pseudopotential implementation of Density Functional...")
- 17:21, 27 May 2016 (diff | hist) . . (+817) . . N Software:gromacs (Created page with "== Gromacs == {| style="border-spacing: 8px;" GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with h...")
- 17:19, 27 May 2016 (diff | hist) . . (+8) . . Software:namd (→namd)
- 17:19, 27 May 2016 (diff | hist) . . (+688) . . N Software:namd (Created page with "== namd == {| style="border-spacing: 8px;" NAMD is a parallel code for molecular dynamics simulation of large biomolecular systems, developed by the Theoretical Biophysics Gr...")
- 17:16, 27 May 2016 (diff | hist) . . (+12) . . Software:autodock (→Autodock) (current)
- 17:15, 27 May 2016 (diff | hist) . . (+2) . . Software:autodock
- 17:15, 27 May 2016 (diff | hist) . . (+9) . . Software:autodock (→Autodock)
- 17:14, 27 May 2016 (diff | hist) . . (+1,408) . . N Software:autodock (Created page with "== Autodock == {| style="border-spacing: 8px;" AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candi...")
- 17:10, 27 May 2016 (diff | hist) . . (-45) . . Software:allpaths (→Allpaths-LG)
- 17:10, 27 May 2016 (diff | hist) . . (+994) . . N Software:allpaths (Created page with "== Allpaths-LG == {| style="border-spacing: 8px;" ALLPATHS-LG is a whole-genome assembler that generates high-quality genome assemblies from short reads. The significant diff...")
- 17:07, 27 May 2016 (diff | hist) . . (+1,173) . . N Software:abinit (Created page with "== Abinit == {| style="border-spacing: 8px;" ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems ma...")
- 15:20, 27 May 2016 (diff | hist) . . (+1,020) . . N Software:fluent (Created page with "== Fluent == {| style="border-spacing: 8px;" Fluent is a state-of-the-art computer program for modelling fluid flow and heat transfer in complex geometries. It provides adapt...")
- 15:14, 27 May 2016 (diff | hist) . . (+84) . . Support:Helpfiles
- 15:11, 27 May 2016 (diff | hist) . . (0) . . HowTo:gamess (→Where can I get more detailed information ?)
- 15:10, 27 May 2016 (diff | hist) . . (-76) . . HowTo:gamess (→Where can I get more detailed information ?)
- 15:08, 27 May 2016 (diff | hist) . . (+163) . . HowTo:gamess (→Licensing)
- 15:06, 27 May 2016 (diff | hist) . . (+233) . . HowTo:gamess (→Licensing)
- 15:02, 27 May 2016 (diff | hist) . . (0) . . HowTo:gamess (→Submitting (parallel) Gamess jobs)
- 15:02, 27 May 2016 (diff | hist) . . (+8) . . HowTo:gamess (→Submitting (parallel) Gamess jobs)
- 15:01, 27 May 2016 (diff | hist) . . (+834) . . HowTo:gamess (→Submitting (parallel) Gaussian jobs)
- 15:00, 27 May 2016 (diff | hist) . . (+1,357) . . HowTo:gamess (→Running Gamess from a command line)
- 14:58, 27 May 2016 (diff | hist) . . (-588) . . HowTo:gamess (→Running Gaussian from a command line)
- 14:56, 27 May 2016 (diff | hist) . . (+4) . . HowTo:gamess (→Scratch files)
- 14:55, 27 May 2016 (diff | hist) . . (-93) . . HowTo:gamess (→Scratch files)
- 14:53, 27 May 2016 (diff | hist) . . (+9,034) . . N HowTo:gamess (Created page with "= Gamess (US) = This is an introduction to the usage of the electronic-structure code "Gamess" on the HPCVL clusters. It is meant as an initial pointer to more detailed infor...")
- 14:47, 27 May 2016 (diff | hist) . . (+1,040) . . N Software:gamess (Created page with "== Gamess (US) == {| style="border-spacing: 8px;" | valign="top" width="50%" style="padding:1em; border:1px solid #aaaaaa; background-color:#e1eaf1; border-radius:7px" | The...")
- 14:44, 27 May 2016 (diff | hist) . . (-32) . . Software:gaussian (→Gaussian)
- 14:43, 27 May 2016 (diff | hist) . . (+189) . . Software:gaussian (→Gaussian)
- 14:39, 27 May 2016 (diff | hist) . . (+13) . . Software:Application (→Table of Software on the Linux (CentOS) Platform)
- 14:37, 27 May 2016 (diff | hist) . . (+111) . . Software:Application
- 14:28, 27 May 2016 (diff | hist) . . (+54) . . Software:amber (current)
- 14:27, 27 May 2016 (diff | hist) . . (-996) . . Software:amber (Blanked the page)
- 14:24, 27 May 2016 (diff | hist) . . (+996) . . N Software:amber (Created page with "== Gaussian == {| style="border-spacing: 8px;" | valign="top" width="50%" style="padding:1em; border:1px solid #aaaaaa; background-color:#e1eaf1; border-radius:7px" | Gaussia...")
- 14:23, 27 May 2016 (diff | hist) . . (+996) . . N Software:gaussian (Created page with "== Gaussian == {| style="border-spacing: 8px;" | valign="top" width="50%" style="padding:1em; border:1px solid #aaaaaa; background-color:#e1eaf1; border-radius:7px" | Gaussia...")
- 12:49, 27 May 2016 (diff | hist) . . (-1) . . About:FileSystems (→About Our File Systems)
- 18:11, 26 May 2016 (diff | hist) . . (+481) . . HowTo:gaussian
- 16:45, 26 May 2016 (diff | hist) . . (-3) . . Support:Helpfiles
- 16:44, 26 May 2016 (diff | hist) . . (+84) . . Support:Helpfiles
- 16:43, 26 May 2016 (diff | hist) . . (0) . . m HowTo:openmp (Hasch moved page Help:OpenMP to HowTo:openmp)
- 16:43, 26 May 2016 (diff | hist) . . (+26) . . N Help:OpenMP (Hasch moved page Help:OpenMP to HowTo:openmp) (current)
- 16:42, 26 May 2016 (diff | hist) . . (0) . . Support:Helpfiles
- 16:41, 26 May 2016 (diff | hist) . . (0) . . m HowTo:mpi (Hasch moved page Help:MPI to HowTo:mpi)
- 16:41, 26 May 2016 (diff | hist) . . (+23) . . N Help:MPI (Hasch moved page Help:MPI to HowTo:mpi) (current)
- 16:34, 26 May 2016 (diff | hist) . . (0) . . m HowTo:gaussian (Hasch moved page Help:Gaussian to HowTo:gaussian)
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