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Displaying 12 results for: Xiongyan21 Topics
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Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 1408 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 1150 Nov 10th 6:56 pm
Xiongyan21
Running NWChem
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed
Started By : Xiongyan21
0 1438 Nov 6th 6:56 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
2 1148 Nov 6th 6:34 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1397 Nov 6th 6:33 pm
Xiongyan21
Compiling NWChem
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1688 Oct 17th 6:36 pm
Xiongyan21
Compiling NWChem
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1932 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 1698 Sep 5th 8:12 am
Edoapra
Compiling NWChem
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1696 Jul 22nd 3:11 pm
Mernst
Compiling NWChem
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 2919 Jul 9th 5:47 am
Xiongyan21
Compiling NWChem
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1895 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 1568 Jun 4th 7:08 am
Huub
Compiling NWChem
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