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Displaying 25 results for: Xiongyan21 Topics
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NWCHEM6.8 Is Successfully Built on Ubuntu Linux 18.04
Started By : Xiongyan21
0 133 Aug 23rd 3:20 am
Xiongyan21
Compiling NWChem
Which input making software can create internals?
Started By : Xiongyan21
0 86 Aug 21st 8:52 pm
Xiongyan21
General Topics
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz
Started By : Xiongyan21
10 671 Apr 20th 3:12 am
Xiongyan21
Running NWChem
NWCHEM6.8 Prints Different Excitation Energy Orders On Ubuntu17.10.2 With Openmpi
Started By : Xiongyan21
0 172 Apr 6th 9:05 pm
Xiongyan21
Running NWChem
Compilation of NWCHEM6.8 Fails on Ubuntu17.10.2 with MPICH 3.3a2
Started By : Xiongyan21
1 322 Apr 6th 7:23 pm
Xiongyan21
Compiling NWChem
Ubuntu Root Password Blocks Running NWChem6.8
Started By : Xiongyan21
1 370 Jan 14th 2:00 am
Xiongyan21
Compiling NWChem
nwxc_input is not in this build of NWChem
Started By : Xiongyan21
1 238 Jan 11th 11:53 pm
Xiongyan21
Running NWChem
An attempt to run as root problem encounted by NWCHEM on Ubuntu17.10
Started By : Xiongyan21
1 394 Jan 11th 6:34 am
Xiongyan21
Compiling NWChem
NWCHEM6.8 Has Been Successfully Built on macOS High Sierra with MPICH2 3.2.1
Started By : Xiongyan21
0 311 Jan 8th 8:33 pm
Xiongyan21
Compiling NWChem
Compilation of NWCHEM6.8 Failed on macOS High Sierra with Openmpi 3.0.0_1
Started By : Xiongyan21
0 417 Jan 7th 8:06 pm
Xiongyan21
Compiling NWChem
Second Official Candidate Release of NWCHEM6.8 cannot be compiled on Ubuntu17.10
Started By : Xiongyan21
8 800 Dec 6th 6:15 am
Xiongyan21
Compiling NWChem
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC
Started By : Xiongyan21
12 928 Nov 21st 9:47 pm
Xiongyan21
Compiling NWChem
When will new version of NWCHEM be released?
Started By : Xiongyan21
1 660 Jul 14th 7:13 pm
Xiongyan21
General Topics
What do these two mean in an active-space CR-EOMCCSD(T) calculation input?
Started By : Xiongyan21
0 448 Jul 9th 3:18 am
Xiongyan21
Running NWChem
NWCHEM Cannot Run On the Environment Although It Is Built
Started By : Xiongyan21
10 1473 Feb 2nd 7:18 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
0 767 Feb 2nd 4:06 am
Xiongyan21
Compiling NWChem
QA test dft_he2+ fails on macOS Sierra 10.12.2
Started By : Xiongyan21
1 657 Feb 2nd 4:04 am
Xiongyan21
Running NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 10849 Sep 21st 3:36 pm
Jhammond
Compiling NWChem
MAC OS EI Capitan 10.11.4 with Xcode 7.3 Supports NWChem6.6
Started By : Xiongyan21
0 1008 Mar 29th 3:25 am
Xiongyan21
Compiling NWChem
Is extraction of dipole moments from real-time TDDFT a Python command?1 2
Started By : Xiongyan21
30 7837 Nov 22nd 8:18 am
Mohammad hasan
Running NWChem
Denominator is very low in MRCC
Started By : Xiongyan21
1 1025 Nov 13th 2:58 am
Xiongyan21
Running NWChem
NWChem 6.6 and 6.5 Can Be Compiled on MAC OS X EI Capitan 10.11
Started By : Xiongyan21
1 1136 Oct 29th 11:13 pm
Xiongyan21
Compiling NWChem
Tddft_mxvec20.patch cannot be applied
Started By : Xiongyan21
2 898 Oct 23rd 7:12 pm
Xiongyan21
Running NWChem
LU failed in BW-MRCC for 4 roots and 4 references
Started By : Xiongyan21
2 929 Oct 23rd 6:54 am
Xiongyan21
Running NWChem
Nwchem6.5 Cannot be Compiled on MAC OS X10.9.5
Started By : Xiongyan21
9 3968 Sep 24th 3:36 am
Xiongyan21
Compiling NWChem
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