(41) Search Results

From NWChem

Displaying 17 results for: Xiongyan21 Posts
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
LU failed in BW-MRCC for 4 roots and 4 references
Started By : Xiongyan21
2 664 Oct 23rd 5:54 am
Xiongyan21
Running NWChem
small Ni cluster convergence
Started By : Holyriver6
9 814 Oct 14th 7:01 pm
Xiongyan21
Running NWChem
Increasing number of iterations
Started By : Mike792
2 770 Oct 12th 11:28 pm
Xiongyan21
Running NWChem
Nwchem6.5 Cannot be Compiled on MAC OS X10.9.5
Started By : Xiongyan21
9 3566 Sep 24th 2:36 am
Xiongyan21
Compiling NWChem
Is the following combination of env. variables required on MAC OS 10.10.3 When compiled with Python?
Started By : Xiongyan21
2 1188 May 9th 11:53 pm
Xiongyan21
Compiling NWChem
Floating Point Exception using shared file IO with TCE
Started By : Mernst
6 2340 May 2nd 1:35 am
Xiongyan21
Running NWChem
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1014 Dec 10th 7:44 am
Jhammond
Running NWChem
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1098 Dec 8th 6:10 pm
Xiongyan21
Running NWChem
2EORB in Mk-MRCCSD
Started By : Vladimir
2 1531 Dec 7th 6:46 am
Vladimir
NWChem functionality
Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 850 Nov 11th 8:29 pm
Xiongyan21
Running NWChem
Test tce_mrcc_bwcc_subgroups already can pass by redefinition of subgroupsize n
Started By : Xiongyan21
2 818 Nov 10th 6:56 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
2 789 Nov 6th 6:34 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1041 Nov 6th 6:33 pm
Xiongyan21
Compiling NWChem
How to generate an output file during a parallel run on MAC OS X
Started By : Xiongyan21
2 879 Oct 18th 6:08 pm
Xiongyan21
Running NWChem
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1223 Oct 17th 6:36 pm
Xiongyan21
Compiling NWChem
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1483 Oct 16th 7:57 am
Xiongyan21
Compiling NWChem
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 1925 Jul 9th 5:47 am
Xiongyan21
Compiling NWChem
Jump to page 1Prev 25

Who's here now Members 0 Guests 0 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC