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Bots/Crawler - Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0

Bots/Crawler -

Bots/Crawler -

Bots/Crawler - ECCE 6.3 apps won't start

Bots/Crawler - Running NWChem

Bots/Crawler - electron transfer: how can I calculate products structure?

Bots/Crawler - General Topics

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Guests - CIS frequencies runs crash with "failed to read isroots"

Bots/Crawler - Compiling on Cray XE6/XE7

Bots/Crawler - A request for help

Bots/Crawler - ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz

Bots/Crawler - rodft, frequency calculation

Bots/Crawler - Installation of nwchem 6.3 version

Bots/Crawler - Problems with Help and Multithreading

Bots/Crawler - search

Bots/Crawler - Error in running MEPGS calculation

Bots/Crawler - DFT calculation issues.

Bots/Crawler - Diabatic coupling using CDFT

Bots/Crawler -

Bots/Crawler - cc-pCV6Z for 2nd row (Al-Ar) in error

Bots/Crawler - MPIRUN after Ubuntu install from sudo apt install nwchem

Bots/Crawler - search

Bots/Crawler - ld: cannot find -lpython2.7

Guests - NWChem6.8.1 MA Error

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Bots/Crawler - int/Integer argument type mismatch inside peigs is causing segmentation fault

Bots/Crawler - NWCHEM Cannot Run On the Environment Although It Is Built

Guests - running Nwchem in parallel

Bots/Crawler - edithistory

Bots/Crawler - NWChem 6.6 and OS X El Capitan

Bots/Crawler - optimization with light atoms

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Bots/Crawler - The err--the parallel runing by compiled version from source and binary

Bots/Crawler - Crashes: linearly dependent basis set

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Xiongyan21 - Restarting Hessian Calculation

Bots/Crawler - Electron transfer between fragments of a conjugated molecule

Bots/Crawler -

Guests - MemRegister error

Bots/Crawler -

Guests - MemRegister error

Bots/Crawler -

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Guests - Different basis sets for the same atoms/molecules

Guests - degenerate HOMO-LUMO and symmetry

Bots/Crawler - nwchem-6.6 ifort, segmentation fault

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Guests - MemRegister error

Guests - CCSD(T) - error for scandium (quartet) energy calculation

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Bots/Crawler - Problem in import calc from NWChem/ECCE output file

Guests -

Guests - index

Guests - search

Guests - Compiling/Running NWChem 6.8.1 over Intel Omni-Path and NVidia P100 offload

Guests - MemRegister error

Bots/Crawler - search

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Bots/Crawler - search

Bots/Crawler - rohf ccsd(t) memory problems nwchem 6.3

Bots/Crawler - edithistory

Bots/Crawler - CentOS 5.7, RHEL5.2 NWChem 6.1 64 bit will build ok, but crash when run causing seg violation


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