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Displaying 21 results for: Xiongyan21 Topics
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Nwchem6.5 Cannot be Compiled on MAC OS X10.9.5
Started By : Xiongyan21
9 3943 Sep 24th 3:36 am
Xiongyan21
Compiling NWChem
Is 256G PCIe based-SSD enough for most calculations?
Started By : Xiongyan21
0 935 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 1420 May 10th 12:53 am
Xiongyan21
Compiling NWChem
When compiled with Python is the following combination of env. variables required on MAC OS 10.10.3?
Started By : Xiongyan21
0 851 May 2nd 7:42 am
Xiongyan21
Compiling NWChem
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1135 Dec 10th 8:44 am
Jhammond
Running NWChem
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1260 Dec 8th 7:10 pm
Xiongyan21
Running NWChem
Is it impossible to calculate excited state energies by TDDFT with Minnesota functionals?
Started By : Xiongyan21
0 1011 Nov 12th 7:48 am
Xiongyan21
Running NWChem
Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 1038 Nov 11th 9:29 pm
Xiongyan21
Running NWChem
Test tce_mrcc_bwcc_subgroups already can pass by redefinition of subgroupsize n
Started By : Xiongyan21
2 936 Nov 10th 7:56 pm
Xiongyan21
Running NWChem
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed
Started By : Xiongyan21
0 1191 Nov 6th 7:56 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
2 935 Nov 6th 7:34 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1168 Nov 6th 7:33 pm
Xiongyan21
Compiling NWChem
How to generate an output file during a parallel run on MAC OS X
Started By : Xiongyan21
2 1003 Oct 18th 7:08 pm
Xiongyan21
Running NWChem
Are the patches already included in the source code or necessary to be installed?
Started By : Xiongyan21
2 1436 Oct 17th 7:36 pm
Xiongyan21
Compiling NWChem
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1666 Oct 16th 8:57 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 1453 Sep 5th 9:12 am
Edoapra
Compiling NWChem
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1444 Jul 22nd 4:11 pm
Mernst
Compiling NWChem
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 2368 Jul 9th 6:47 am
Xiongyan21
Compiling NWChem
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1478 Jun 26th 8:19 pm
Xiongyan21
Compiling NWChem
Cannot Define NWCHEM_TOP in the Chosen Directory
Started By : Xiongyan21
1 1533 Jun 26th 12:32 am
Mernst
Compiling NWChem
How to compile and run NWCHEM 6.3 in parallel mode on MAC OS X?
Started By : Xiongyan21
2 1312 Jun 4th 8:08 am
Huub
Compiling NWChem
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