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Displaying 25 results for: dplot

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Thread Title	Replies	Views	Last Action	Forum
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 compilation1 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 openmpi1 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 directory1 23 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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