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From NWChem
Displaying 25 results for: dplot
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rt-TDDFT and OCCUP
Started By :
Andreas
5
2936
Jun 22nd 8:56 am
Eenjoyzoo
General Topics
dplot problem in real-time tddft
Started By :
Eenjoyzoo
0
28
Jun 22nd 7:32 am
Eenjoyzoo
Running NWChem
Problem building NWChem version 6.5 on IB cluster with MKL & IntelMPI
Started By :
Rdauria
13
127
May 21st 2:52 pm
Rdauria
Compiling NWChem
Mingw32 compilation
1
2
Started By :
P99
29
2667
May 17th 3:02 am
P99
Compiling NWChem
multiple definition of `util_mic_set_affinity_' at util_mic_support.c:176
Started By :
Puneet336
1
781
May 1st 6:10 pm
Edoapra
Compiling NWChem
Accessing electron density from dplot via python
Started By :
Mjw99
7
305
Apr 29th 9:27 am
Edoapra
General Topics
Nwpw band dplot
Started By :
Btam125
0
115
Apr 27th 4:52 am
Btam125
General Topics
compile NWCHEM 6.5 ubuntu 14.04 error
Started By :
Dali
1
181
Apr 20th 10:53 am
Edoapra
Compiling NWChem
Dplot DGEMM parameter error
Started By :
Btam125
2
172
Apr 15th 3:06 am
Btam125
General Topics
armci undefined symbols building 6.5 on OS X 10.10.2
Started By :
Mernst
1
228
Apr 4th 11:27 pm
Mernst
Compiling NWChem
.cube Files (Output for Dplot)
Started By :
J.Yevlig
10
308
Apr 3rd 9:21 am
Sean
General Topics
Error during dplot calculations
Started By :
Aniruddha
1
176
Mar 30th 9:27 am
Edoapra
General Topics
Compiling issue.
Started By :
Frank.ramirez
12
1029
Mar 20th 4:05 pm
Edoapra
Compiling NWChem
compilation issue: Nwchem-dev.revision26871-src.2015-02-24.tar
Started By :
Anup9802
2
823
Mar 10th 2:05 pm
Anup9802
General Topics
Output wavefunction to cubefiles
Started By :
Jes060
2
775
Mar 9th 9:02 pm
Jes060
General Topics
Intel Xeon Phi compilation error
Started By :
Masrul
6
1047
Jan 29th 11:52 pm
Masrul
Compiling NWChem
Dplot display of HOMO and LUMO
Started By :
Bk.ong
5
2162
Jan 28th 12:51 pm
Edoapra
General Topics
having some problems with 6.1.1 and qlogic openmpi
1
2
Started By :
Michael tn
16
4479
Dec 10th 9:21 am
Jhammond
Compiling NWChem
Linking NWChem against Intel's MKL
Started By :
DouDou
6
2384
Dec 10th 9:11 am
Jhammond
Compiling NWChem
compile with ifort, openmpi, ib
Started By :
Ysagon
2
675
Oct 28th 8:19 am
Ysagon
Compiling NWChem
f77 and mpif77 is conflict - Not properly synchronize with make file
Started By :
Jaikumar
7
644
Oct 24th 3:27 pm
Edoapra
Compiling NWChem
Error Message from Task 0:: No such file or directory
1
2
3
Started By :
Sri4mailing
32
8326
Oct 6th 9:53 pm
Sri4mailing
Running NWChem
Re: Beta version of NWChem 6.5 available for testing
Started By :
Mpjohans
4
435
Sep 4th 4:32 pm
Edoapra
Compiling NWChem
`Compilation faied for nwchem-6.3.revision2-src.2013-10-17 with undefined reference
Started By :
Sri4mailing
12
675
Sep 2nd 8:13 pm
Sri4mailing
General Topics
obtaining wavefunctions from dplot
Started By :
Jaapkroe
1
311
Aug 31st 9:28 am
Mpjohans
Running NWChem
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