User contributions for Vaspmaster

17:2817:28, 8 February 2016 diff hist +103‎ CUDA-C GPU port of VASP ‎ →‎Additional information
17:2717:27, 8 February 2016 diff hist −1‎ CUDA-C GPU port of VASP ‎ →‎Additional information
17:2617:26, 8 February 2016 diff hist +184‎ CUDA-C GPU port of VASP ‎ →‎Additional information
17:2517:25, 8 February 2016 diff hist +197‎ CUDA-C GPU port of VASP ‎No edit summary
17:1617:16, 8 February 2016 diff hist +44‎ CUDA-C GPU port of VASP ‎No edit summary
17:1417:14, 8 February 2016 diff hist +33‎ N CUDA-C GPU port of VASP ‎ Created page with "---- Contents"
13:3013:30, 8 February 2016 diff hist +3,089‎ N Makefile.include.linux intel cuda ‎ Created page with "<pre> # Precompiler options..."

10:1010:10, 13 October 2015 diff hist +16‎ LCALCEPS ‎No edit summary
10:0810:08, 13 October 2015 diff hist +24‎ LEPSILON ‎No edit summary
10:0610:06, 13 October 2015 diff hist −2‎ LCALCEPS ‎No edit summary
10:0610:06, 13 October 2015 diff hist +2‎ LCALCEPS ‎No edit summary
10:0410:04, 13 October 2015 diff hist +156‎ LCALCEPS ‎No edit summary
09:5809:58, 13 October 2015 diff hist +84‎ IBRION ‎ →‎Some general comments
09:5509:55, 13 October 2015 diff hist +26‎ IBRION ‎ →‎{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix and phonon frequencies (perturbation theory).
09:5309:53, 13 October 2015 diff hist −17‎ IBRION ‎ →‎{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).

12:5912:59, 8 July 2015 diff hist +5‎ Makefile.include.linux intel ‎No edit summary

11:2311:23, 29 June 2015 diff hist +1,221‎ N Makefile.include.linux gfortran ‎ Created page with "<pre> # Precompiler options CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \ -DCACHE_SIZE=4000 -Davoidalloc \ -DMPI_BLOCK=8000 -DscaLAPACK -Duse_coll..."
11:2011:20, 29 June 2015 diff hist +1,232‎ N Makefile.include.linux intel ‎ Created page with "<pre> # Precompiler options CPP_OPTIONS= -DMPI -DHOST=\"IFC91_ompi\" -DIFC \ -DCACHE_SIZE=4000 -DPGF90 -Davoidalloc \ -DMPI_BLOCK=8000 -DscaLAPACK -D..."

09:4309:43, 7 August 2014 diff hist 0‎ LCHIMAG ‎No edit summary

09:5609:56, 29 April 2014 diff hist +74‎ MDALGO ‎ →‎Related Tags and Sections
09:3909:39, 29 April 2014 diff hist +679‎ MDALGO ‎ →‎Stochastic boundary conditions
09:3609:36, 29 April 2014 diff hist +679‎ LANGEVIN GAMMA ‎No edit summary
08:1908:19, 29 April 2014 diff hist +911‎ N PSUBSYS ‎ Created page with '{{TAGDEF|PSUBSYS|[real array]}} Description: {{TAG|PSUBSYS}} sets the collision probabilities for the atoms in each atomic subsystem in calculations with multiple Anderson therm…'

17:0617:06, 28 April 2014 diff hist +836‎ N TSUBSYS ‎ Created page with '{{TAGDEF|TSUBSYS|[real array]}} Description: {{TAG|TSUBSYS}} sets the temperatures for the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was…'
16:3016:30, 28 April 2014 diff hist −24‎ NSUBSYS ‎No edit summary
16:3016:30, 28 April 2014 diff hist −3‎ NSUBSYS ‎No edit summary
16:2916:29, 28 April 2014 diff hist −1‎ NSUBSYS ‎No edit summary
16:2916:29, 28 April 2014 diff hist +1,268‎ N NSUBSYS ‎ Created page with '{{TAGDEF|NSUBSYS|[integer array]}} Description: {{TAG|NSUBSYS}} defines the atomic subsystems in calculations with multiple Anderson thermostats (in case VASP was compiled with …'
16:2716:27, 28 April 2014 diff hist +31‎ MDALGO ‎No edit summary
16:2416:24, 28 April 2014 diff hist +7‎ MDALGO ‎ →‎{{TAG|MDALGO}}=13: Multiple Anderson thermostats
14:0214:02, 28 April 2014 diff hist +887‎ N VALUE MIN ‎ Created page with '{{TAGDEF|VALUE_MIN|[real array]}} Description: {{TAG|VALUE_MIN}} sets the lower limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler_f…'
13:5913:59, 28 April 2014 diff hist −10‎ VALUE MAX ‎No edit summary
13:5913:59, 28 April 2014 diff hist 0‎ VALUE MAX ‎No edit summary
13:5813:58, 28 April 2014 diff hist +897‎ N VALUE MAX ‎ Created page with '{{TAGDEF|VALUE_MAX|[real array]}} Description: {{TAG|VALUE_MAX}} sets the upper limits for the monitoring of geometric parameters (in case VASP was compiled with [[Precompiler_f…'
13:4913:49, 28 April 2014 diff hist +22‎ PMASS ‎No edit summary
13:4913:49, 28 April 2014 diff hist +22‎ LANGEVIN GAMMA L ‎No edit summary
13:4813:48, 28 April 2014 diff hist +22‎ LANGEVIN GAMMA ‎No edit summary
13:4813:48, 28 April 2014 diff hist +22‎ INCREM ‎No edit summary
13:4713:47, 28 April 2014 diff hist +22‎ HILLS BIN ‎No edit summary
13:4713:47, 28 April 2014 diff hist +22‎ HILLS W ‎No edit summary
13:4713:47, 28 April 2014 diff hist +22‎ HILLS H ‎No edit summary
13:4613:46, 28 April 2014 diff hist +22‎ SHAKEMAXITER ‎No edit summary
13:4613:46, 28 April 2014 diff hist +22‎ SHAKETOL ‎No edit summary
13:4613:46, 28 April 2014 diff hist +22‎ LBLUEOUT ‎No edit summary
13:4513:45, 28 April 2014 diff hist +63‎ ANDERSEN PROB ‎No edit summary
11:3311:33, 28 April 2014 diff hist +1,052‎ MDALGO ‎No edit summary
11:3011:30, 28 April 2014 diff hist 0‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
11:2911:29, 28 April 2014 diff hist +1,061‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
11:2011:20, 28 April 2014 diff hist 0‎ MDALGO ‎ →‎Slow-growth approach

15:2715:27, 25 April 2014 diff hist −16‎ MDALGO ‎ →‎Related Tags and Sections

8 February 2016

13 October 2015

8 July 2015

29 June 2015

7 August 2014

29 April 2014

28 April 2014

25 April 2014