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57117.
It can compute energies and gradients for the following methods:
* Closed shell and general restricted open shell Hartree-Fock (RHF/ROHF)
(including analytical hessians for RHF)
* Closed shell Moeller-Plesset pertubation theory (MP2)
* Complete active space SCF (CASSCF)
* Coupled-cluster singles doubles (CCSD)
* Coupled-cluster singles doubles with pertubative triples (CCSD(T))
(only for unrestricted (UHF) reference wavefunctions)
Description
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(no translation yet)
Located in Package: psi3
57118.
Additionally, it can compute energies for the following methods:
* Unrestricted open shell Hartree-Fock (UHF)
* Closed/open shell Moeller-Plesset pertubation theory (MP2)
* Closed shell explicitly correlated MP2 theory (MP2-R12) and spin-component
scaled MP2 theory (SCS-MP2)
* Multireference configuration-interaction (MRCI)
* Coupled-cluster singles doubles with pertubative triples (CCSD(T))
* Second/third-order approximate coupled-cluster singles doubles (CC2/CC3)
* Multireference coupled-cluster singles doubles (MRCCSD)
* Closed shell and general restricted open shell equation-of-motion coupled-
cluster singles doubles (EOM-CCSD)
Description
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Located in Package: psi3
57119.
Further features include:
* Flexible, modular and customizable input format
* Excited state calculations with the CC2/CC3, EOM-CCSD, CASSCF, MRCI and
MRCCSD methods
* Internal coordinate geometry optimizer
* Harmonic frequencies calculations
* One-electron properties like dipole/quadrupole moments, natural orbitals,
electrostatic potential, hyperfine coupling constants or spin density
* Utilization of molecular point-group symmetry to increase efficiency
Description
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Located in Package: psi3
57130.
pslib is a library to create PostScript files. It offers many drawing primitives, image output and very sophisticated text rendering. It can read external Type1 fonts and embed them into the output file. It supports pdfmarks which makes it in combination with ghostscript's pdfwriter an alternative for libraries creating PDF.
Description
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Located in Package: pslib1-dbg Package: pslib1
57136.
PSPP supports T-tests, ANOVA, GLM, factor analysis, non-parametric tests, and other statistical features. PSPP produces statistical reports in plain text, PDF, PostScript, CSV, HTML, SVG, and OpenDocument formats.
Description
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Located in Package: pspp
57143.
pssh provides a number of commands for executing against a group of computers, using SSH. It's most useful for operating on clusters of homogenously-configured hosts.
Description
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Located in Package: pssh
57145.
- Parallel ssh (parallel-ssh, upstream calls it pssh), executes commands on
multiple hosts in parallel
- Parallel scp (parallel-scp, upstream calls it pscp), copies files to
multiple remote hosts in parallel
- Parallel rsync (parallel-rsync, upstream calls it prsync), efficiently
copies files to multiple hosts in parallel
- Parallel nuke (parallel-nuke, upstream calls it pnuke), kills processes on
multiple remote hosts in parallel
- Parallel slurp (parallel-slurp, upstream calls it pslurp), copies files
from multiple remote hosts to a central host in parallel
Description
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Located in Package: pssh
57148.
pstack dumps a stack trace for a process, given the PID of that process. If the process named is part of a thread group, then all the threads in the group are traced.
Description
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Located in Package: pstack
57156.
- IDE GUI for coding in a powerful scripting language (Python)
- Builder GUI for rapid development of stimulation sequences
- Use of hardware-accelerated graphics (OpenGL)
- Integration with Spectrascan PR650 for easy monitor calibration
- Simple routines for staircase and constant stimuli experimental
methods as well as curve-fitting and bootstrapping
- Simple (or complex) GUIs via wxPython
- Easy interfaces to joysticks, mice, sound cards etc. via PyGame
- Video playback (MPG, DivX, AVI, QuickTime, etc.) as stimuli
Description
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Located in Package: psychopy
57157.
toolbox for vision research -- arch/interpreter independent part
Summary
(no translation yet)
Located in Package: psychtoolbox-3-common
2430124310 of 31900 results

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