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newbie Centos7 install
Started By : Mikemp
1 457 Mar 27th 3:11 pm
Edoapra
Running NWChem
quick question RE:Spin-orbit ECPs (Stuttgart)
Started By : Spinor
1 618 Mar 13th 12:34 pm
Edoapra
General BSE Topics
Problem with optimization
Started By : Dudektria
3 1462 Mar 3rd 5:55 am
Dudektria
NWChem functionality
Improper compilation causes memory error during running nwchem
Started By : DanChQ
13 1437 Mar 1st 3:02 am
DanChQ
Compiling NWChem
Problem in running NWChem.
Started By : Bikash Patra
3 624 Feb 27th 11:03 am
Bikash Patra
Compiling NWChem
Problem when computing giao shieldings
Started By : Armando
4 515 Feb 22nd 7:41 am
Armando
General Topics
Problem in modifying the subroutine
Started By : Toshiharu Higuchi
13 1100 Feb 11th 10:29 pm
Toshiharu Higuchi
NWChem functionality
Cannot get RODFT calculations to run.
Started By : Ashaw
3 518 Feb 11th 7:31 am
Xiongyan21
Running NWChem
MPI errors Centos 7.3
Started By : Deej
4 1130 Feb 8th 12:25 pm
Deej
Compiling NWChem
COSMO-SMD Initialization (regarding solvent accessible surface area)1 2
Started By : Tsenf
23 6687 Feb 2nd 8:59 am
Xiongyan21
NWChem functionality
NWCHEM Cannot Run On the Environment Although It Is Built
Started By : Xiongyan21
10 1283 Feb 2nd 7:18 am
Xiongyan21
Running NWChem
Simple input file convergence problem: scf optimize failed
Started By : DanChQ
6 1037 Jan 28th 1:38 am
DanChQ
Running NWChem
problem " eafsize "
Started By : Lilabdb
2 2015 Jan 25th 3:10 pm
Yywalnut
General Topics
Not terminate normally. Thank you very much!
Started By : Greatqi
1 518 Jan 24th 7:58 pm
Edoapra
Running NWChem
dplot got all zero densities
Started By : Ytang
2 601 Jan 24th 7:15 pm
Ytang
General Topics
MP2: Counterpoise corrected geometry optimization fails
Started By : DSVA
4 567 Jan 20th 3:24 pm
DSVA
General Topics
How to fix the issue of error message "movecs_fragment: no. basis function mismatch" ?
Started By : Rangsiman
4 570 Jan 19th 7:33 pm
Rangsiman
General Topics
compiling on centos~~ can't find Python.h
Started By : Zww9
10 1435 Jan 18th 12:36 pm
Zww9
Compiling NWChem
Failure to compile on MinGW with MSYS
Started By : Covalent
3 1714 Jan 17th 10:59 am
Edoapra
Compiling NWChem
Error in ccsd_t after compiling
Started By : MarcelB
3 713 Jan 8th 3:13 pm
Jhammond
Compiling NWChem
"Catastrophic error" on ccsd_t_kernels_omp.F when compiling nw6.6 by ifort 15.0.2 under CentOS 7
Started By : Vistawanted
3 874 Jan 4th 7:23 pm
Edoapra
Compiling NWChem
Error compiling mov2asc in opensuse
Started By : Jecerca
1 587 Dec 27th 6:16 pm
Edoapra
Compiling NWChem
Compiling on RHEL 7 with MKL1 2
Started By : Afeleut
21 4096 Dec 27th 6:11 pm
Edoapra
Compiling NWChem
Multicore convergence problem
Started By : Extremis
8 871 Dec 26th 3:44 pm
Extremis
Running NWChem
Intel E5-2640v3 Haswell: No such instruction
Started By : Danielk
4 1599 Dec 12th 1:04 am
Danielk
Compiling NWChem
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