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Displaying 17 results for: Xiongyan21 Topics
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Thread Title Replies Views Last Action Forum
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1038 Dec 10th 7:44 am
Jhammond
Running NWChem
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1129 Dec 8th 6:10 pm
Xiongyan21
Running NWChem
Is it impossible to calculate excited state energies by TDDFT with Minnesota functionals?
Started By : Xiongyan21
0 865 Nov 12th 6:48 am
Xiongyan21
Running NWChem
Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 895 Nov 11th 8:29 pm
Xiongyan21
Running NWChem
Test tce_mrcc_bwcc_subgroups already can pass by redefinition of subgroupsize n
Started By : Xiongyan21
2 851 Nov 10th 6:56 pm
Xiongyan21
Running NWChem
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed
Started By : Xiongyan21
0 1000 Nov 6th 6:56 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
2 823 Nov 6th 6:34 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1057 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
2 906 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 1276 Oct 17th 6:36 pm
Xiongyan21
Compiling NWChem
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1519 Oct 16th 7:57 am
Xiongyan21
Compiling NWChem
"No such file or directory" during compilling NWCHEM 6.3 REV 2 or NWCHEM 6.1.1 ON MAC
Started By : Xiongyan21
1 1316 Sep 5th 8:12 am
Edoapra
Compiling NWChem
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1285 Jul 22nd 3:11 pm
Mernst
Compiling NWChem
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 2036 Jul 9th 5:47 am
Xiongyan21
Compiling NWChem
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1353 Jun 26th 7:19 pm
Xiongyan21
Compiling NWChem
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1303 Jun 25th 11:32 pm
Mernst
Compiling NWChem
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 1179 Jun 4th 7:08 am
Huub
Compiling NWChem
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