(52) Search Results

From NWChem

Displaying 26 results for: Xiongyan21 Topics
Jump to: navigation, search

Thread Title Replies Views Last Action Forum
QA test dft_he2+ fails on macOS Sierra 10.12.2
Started By : Xiongyan21
1 762 Feb 2nd 3:04 am
Xiongyan21
Running NWChem
CCSDTLR Not Compiled Error in Example ccsdt_polar_small.nw1 2
Started By : Xiongyan21
28 11547 Sep 21st 2:36 pm
Jhammond
Compiling NWChem
MAC OS EI Capitan 10.11.4 with Xcode 7.3 Supports NWChem6.6
Started By : Xiongyan21
0 1093 Mar 29th 2:25 am
Xiongyan21
Compiling NWChem
Is extraction of dipole moments from real-time TDDFT a Python command?1 2
Started By : Xiongyan21
30 8571 Nov 22nd 7:18 am
Mohammad hasan
Running NWChem
Denominator is very low in MRCC
Started By : Xiongyan21
1 1137 Nov 13th 1:58 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 1218 Oct 29th 10:13 pm
Xiongyan21
Compiling NWChem
Tddft_mxvec20.patch cannot be applied
Started By : Xiongyan21
2 989 Oct 23rd 6:12 pm
Xiongyan21
Running NWChem
LU failed in BW-MRCC for 4 roots and 4 references
Started By : Xiongyan21
2 988 Oct 23rd 5:54 am
Xiongyan21
Running NWChem
Nwchem6.5 Cannot be Compiled on MAC OS X10.9.5
Started By : Xiongyan21
9 4102 Sep 24th 2:36 am
Xiongyan21
Compiling NWChem
Is 256G PCIe based-SSD enough for most calculations?
Started By : Xiongyan21
0 1020 Jul 24th 6:03 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 1494 May 9th 11:53 pm
Xiongyan21
Compiling NWChem
When compiled with Python is the following combination of env. variables required on MAC OS 10.10.3?
Started By : Xiongyan21
0 939 May 2nd 6:42 am
Xiongyan21
Compiling NWChem
Cannot Increase GA Needed for Example ccsdt_polar_small
Started By : Xiongyan21
3 1198 Dec 10th 7:44 am
Jhammond
Running NWChem
EOMCCSDT Calculation Does Not Reach Convergence Criteria
Started By : Xiongyan21
1 1329 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 1083 Nov 12th 6:48 am
Xiongyan21
Running NWChem
Analytic 2nds not ready for these XC functionals error in TDDFT
Started By : Xiongyan21
3 1150 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 1002 Nov 10th 6:56 pm
Xiongyan21
Running NWChem
Test tce_mrcc_mkcc , tce_mrcc_bwcc and tce_cuda passed
Started By : Xiongyan21
0 1269 Nov 6th 6:56 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
2 998 Nov 6th 6:34 pm
Xiongyan21
Running NWChem
How to make quadratical ROHF converge in cr_eomccsd_t_xmem calculation?
Started By : Xiongyan21
1 1246 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 1513 Oct 17th 6:36 pm
Xiongyan21
Compiling NWChem
Global Array Toolkit Compilation Errors on Mac OS X 10.9.5
Started By : Xiongyan21
3 1738 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 1530 Sep 5th 8:12 am
Edoapra
Compiling NWChem
Is Nwchem 6.3 very demanding for I/O performance?
Started By : Xiongyan21
1 1525 Jul 22nd 3:11 pm
Mernst
Compiling NWChem
Instructions in the manual cannot set modules and define target
Started By : Xiongyan21
10 2596 Jul 9th 5:47 am
Xiongyan21
Compiling NWChem
Making libraries in tools fails when compiling Nwchem6.3 revision2 on MAC
Started By : Xiongyan21
0 1535 Jun 26th 7:19 pm
Xiongyan21
Compiling NWChem
Jump to page 1Prev 252Next 25Last

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