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Thread Title	Replies	Views	Last Action	Forum
ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz Started By : Xiongyan21	10	474	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	92	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	194	Apr 6th 7:23 pm Xiongyan21	Compiling NWChem
Ubuntu Root Password Blocks Running NWChem6.8 Started By : Xiongyan21	1	250	Jan 14th 2:00 am Xiongyan21	Compiling NWChem
nwxc_input is not in this build of NWChem Started By : Xiongyan21	1	154	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	273	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	197	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	309	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	550	Dec 6th 6:15 am Xiongyan21	Compiling NWChem
Official Candidate Release of NWCHEM6.8 cannot be compiled on MAC Started By : Xiongyan21	12	745	Nov 21st 9:47 pm Xiongyan21	Compiling NWChem
When will new version of NWCHEM be released? Started By : Xiongyan21	1	533	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	364	Jul 9th 3:18 am Xiongyan21	Running NWChem
NWCHEM Cannot Run On the Environment Although It Is Built Started By : Xiongyan21	10	1256	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	683	Feb 2nd 4:06 am Xiongyan21	Compiling NWChem
QA test dft_he2+ fails on macOS Sierra 10.12.2 Started By : Xiongyan21	1	568	Feb 2nd 4:04 am Xiongyan21	Running NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2 Started By : Xiongyan21	28	10195	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	915	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	7174	Nov 22nd 8:18 am Mohammad hasan	Running NWChem
Denominator is very low in MRCC Started By : Xiongyan21	1	915	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	1053	Oct 29th 11:13 pm Xiongyan21	Compiling NWChem
Tddft_mxvec20.patch cannot be applied Started By : Xiongyan21	2	813	Oct 23rd 7:12 pm Xiongyan21	Running NWChem
LU failed in BW-MRCC for 4 roots and 4 references Started By : Xiongyan21	2	857	Oct 23rd 6:54 am Xiongyan21	Running NWChem
Nwchem6.5 Cannot be Compiled on MAC OS X10.9.5 Started By : Xiongyan21	9	3858	Sep 24th 3:36 am Xiongyan21	Compiling NWChem
Is 256G PCIe based-SSD enough for most calculations? Started By : Xiongyan21	0	878	Jul 24th 7:03 am Xiongyan21	Running NWChem
Is the following combination of env. variables required on MAC OS 10.10.3 When compiled with Python? Started By : Xiongyan21	2	1362	May 10th 12:53 am Xiongyan21	Compiling NWChem
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