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NWCHEM6.8 can run on macOS Mojave 10.14.3
Started By : Xiongyan21
0 9 Feb 14th 3:58 am
Xiongyan21
Compiling NWChem
What is the keyword in NWCHEM to calculate reorganization energies
Started By : Xiongyan21
4 144 Feb 8th 9:19 pm
Xiongyan21
NWChem functionality
CCSDT calculation of F2 at twice equilibrium distance cannot converge
Started By : Xiongyan21
4 86 Jan 18th 7:53 am
Xiongyan21
Running NWChem
How to generate an output file during a parallel run on MAC OS X
Started By : Xiongyan21
3 1077 Jan 14th 12:47 am
Dkumar.rav
Running NWChem
Which keyword let qmmm_freq.nw restart?
Started By : Xiongyan21
2 40 Jan 8th 10:14 am
Edoapra
Running NWChem
QMD to simulate time-resolved IR
Started By : Xiongyan21
1 43 Jan 7th 9:52 am
Xiongyan21
Running NWChem
Does NWCHEM need an additional MKL
Started By : Xiongyan21
2 49 Jan 5th 3:41 pm
Xiongyan21
Compiling NWChem
Is it the print level that causes different outputs of qmd_tddft and qmd_tddft_h2o_svr
Started By : Xiongyan21
1 85 Dec 21st 7:26 am
Xiongyan21
NWChem functionality
NWCHEM6.8 Is Successfully Built on Ubuntu Linux 18.04
Started By : Xiongyan21
0 356 Aug 23rd 2:20 am
Xiongyan21
Compiling NWChem
Which input making software can create internals?
Started By : Xiongyan21
0 188 Aug 21st 7:52 pm
Xiongyan21
General Topics
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
Started By : Xiongyan21
10 887 Apr 20th 2:12 am
Xiongyan21
Running NWChem
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
Started By : Xiongyan21
0 227 Apr 6th 8:05 pm
Xiongyan21
Running NWChem
Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2
Started By : Xiongyan21
1 446 Apr 6th 6:23 pm
Xiongyan21
Compiling NWChem
Ubuntu Root Password Blocks Running NWChem6.8
Started By : Xiongyan21
1 494 Jan 14th 1:00 am
Xiongyan21
Compiling NWChem
nwxc_input is not in this build of NWChem
Started By : Xiongyan21
1 341 Jan 11th 10:53 pm
Xiongyan21
Running NWChem
An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10
Started By : Xiongyan21
1 536 Jan 11th 5:34 am
Xiongyan21
Compiling NWChem
NWCHEM6.8 Has Been Successfully Built on macOS High Sierra with MPICH2 3.2.1
Started By : Xiongyan21
0 431 Jan 8th 7:33 pm
Xiongyan21
Compiling NWChem
Compilation of NWCHEM6.8 Failed on macOS High Sierra with Openmpi 3.0.0_1
Started By : Xiongyan21
0 539 Jan 7th 7:06 pm
Xiongyan21
Compiling NWChem
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
Started By : Xiongyan21
8 1069 Dec 6th 5:15 am
Xiongyan21
Compiling NWChem
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21
12 1152 Nov 21st 8:47 pm
Xiongyan21
Compiling NWChem
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 769 Jul 14th 6:13 pm
Xiongyan21
General Topics
What do these two mean in an active-space CR-EOMCCSD(T) calculation input?
Started By : Xiongyan21
0 551 Jul 9th 2:18 am
Xiongyan21
Running NWChem
NWCHEM Cannot Run On the Environment Although It Is Built
Started By : Xiongyan21
10 1670 Feb 2nd 6:18 am
Xiongyan21
Running NWChem
NWChem is successfully built on mac OS Sierra10.12.3 with GCC6.3.0 and mpich3.2_2.
Started By : Xiongyan21
0 869 Feb 2nd 3:06 am
Xiongyan21
Compiling NWChem
QA test dft_he2+ fails on macOS Sierra 10.12.2
Started By : Xiongyan21
1 754 Feb 2nd 3:04 am
Xiongyan21
Running NWChem
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