Wrong format for small values in cube files created by dplot

From NWChem

You are viewing a single post from the thread title above
Jump to: navigation, search

Click here for full thread
Clicked A Few Times
Threads 3
Posts 9
Hi,

I found a wrong output format for small values in cube files which were created by dplot-module when I was using NWChem 6.6.

A part of my cube file is shown:
  
  0.14346E-35  0.55300E-38  0.14745E-40  0.27194E-43  0.34691E-46  0.30612E-49
  0.18685E-52  0.78885E-56  0.23037E-59  0.46535E-63  0.65021E-67  0.62841E-71
  0.42010E-75  0.19426E-79  0.62136E-84  0.13747E-88  0.21038E-93  0.22270E-98
  0.16306-103  0.82585-109  0.28932-114  0.70108-120  0.11751-125  0.13624-131
  0.10926-137  0.60610-144  0.23256-150  0.61724-157  0.11331-163
  0.51661-283  0.66820-274  0.59782-265  0.36996-256  0.15836-247  0.46890-239
  0.96033-231  0.13605-222  0.13331-214  0.90359-207  0.42364-199  0.13739-191
  0.30818-184  0.47818-177  0.51321-170  0.38100-163  0.19564-156  0.69491-150
  0.17073-143  0.29015-137  0.34107-131  0.27733-125  0.15598-119  0.60679-114
  0.16329-108  0.30393-103  0.39131E-98  0.34848E-93  0.21467E-88  0.91469E-84
  0.26959E-79  0.54960E-75  0.77502E-71  0.75597E-67  0.51005E-63  0.23803E-59
  0.76839E-56  0.17157E-52  0.26499E-49  0.28310E-46  0.20920E-43  0.10693E-40


here, very small values (<1.0e-99) are written in wrong format, i.e., missing of "E".

Any comments are welcome.
Besides, I would like to ask anyone to post a patch file to fix this problem.

futofuji
Edited On 8:53:28 AM PST - Mon, Jan 18th 2016 by Futofuji


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