GNUplot command prompt

Louischarlc0 · 2021-11-04 14:10:13

Dear Prof Lu

The command prompt on page 258 of the latest multiwfn manual does not work properly. What is the actual command prompt that I should enter into Windows PowerShell?

Thanks in advance

Regards
Louis-Charl

sobereva · 2021-11-04 14:19:35

Dear Louis-Charl,

Please do not use powershell (I quite dislike this terminal), use cmd instead.

Hint:
If you are using Windows 10, download this file://www.umsyar.com/other/Open_cmd_window(win10).reg, run it to update registry, then you should be able to find option "Open cmd window here" after clicking right mouse button, via this you can quickly enter cmd environment.

If you insist on using powershell, you should input full path of gnuplot executable file, or add ".\" before the executable file name if the file is in current folder.

Best regards,

Tian

Louischarlc0 · 2021-11-04 16:48:29

Dear Prof Lu

If I click on the link that you me then it does not open in an executable program and I'm unable to download it even though I'm using windows 10. If I right click on the mouse the I'm able to download a QR code but it download as a png file. How will I be able to use this in the cmd environment?

Thanks in advance

Regards
Louis-Charl

sobereva · 2021-11-04 17:01:04

Louischarlc0 wrote:

Dear Prof Lu

If I click on the link that you me then it does not open in an executable program and I'm unable to download it even though I'm using windows 10. If I right click on the mouse the I'm able to download a QR code but it download as a png file. How will I be able to use this in the cmd environment?

Thanks in advance

Regards
Louis-Charl

Click right mouse button on the link of the .reg file, save as a file. If the extension is not .reg, then manually change it to .reg. After double clicking this downloaded file, registry will be updated, then you can find an option on right mouse button menu to quickly enter cmd environment.

Louischarlc0 · 2021-11-04 17:59:53

Should the file be save as a txt file?

Regards
Louis-Charl

Louischarlc0 · 2021-11-04 18:29:45

I also found several applications in the cmd environment. Which one should I select?

Thanks in advance

Regards
Louis-Charl

sobereva · 2021-11-04 18:44:20

Louischarlc0 wrote:

Should the file be save as a txt file?

Regards
Louis-Charl

Save as .txt file, and then manually change the extension from .txt to .reg.

sobereva · 2021-11-04 18:45:20

Louischarlc0 wrote:

I also found several applications in the cmd environment. Which one should I select?

Thanks in advance

Regards
Louis-Charl

I don't understand your statement. If you have entered cmd environment, you can directly use command in Multiwfn manual or tutorial video to invoke gnuplot to draw map.

Louischarlc0 · 2021-11-05 07:33:42

I think the problem I'm encountering is to get it into a .reg file

Louischarlc0 · 2021-11-05 08:16:47

I managed to save it as a .reg file now but is unable to find an entry into the cmd environment

sobereva · 2021-11-05 09:21:08

I can't give you specific advice remotely. So, simply use Powershell or enter cmd in tradition way.

Louischarlc0 · 2021-11-06 08:21:20

I managed to enter the cmd environment now and the command prompt seemed to work but it gives me a notepad file. Should I edit it to get the PS format of the 2D RDGscatter?

Thanks in advance

Regards
Louis-Charl

sobereva · 2021-11-06 10:41:03

Louischarlc0 wrote:

I managed to enter the cmd environment now and the command prompt seemed to work but it gives me a notepad file. Should I edit it to get the PS format of the 2D RDGscatter?

I can't quite understand your description. It is best to always upload screenshot so that I can clearly understand your current situation.

Louischarlc0 · 2021-11-06 10:44:21

set terminal postscript landscape enhanced color 'Helvetica' 20
set encoding iso_8859_1
set output 'RDGscatter.ps'
set key
set ylabel 'RDG (a.u)' font "Helvetica, 20"
set xlabel 'sign({/Symbol l}_2){/Symbol r} (a.u.)' font "Helvetica, 20"
set pm3d map
set palette defined (-0.035 "blue",-0.0075 "green", 0.02 "red")
set format y "%.2f"
set format x "%.2f"
set format cb "%.3f"
set border lw 2
set xtic -0.05,0.01,0.05 nomirror rotate font "Helvetica"
set ytic 0.0,0.2,2.0 nomirror font "Helvetica"
set cbtic -0.035,0.005,0.02 nomirror font "Helvetica"
set xrange [-0.05:0.05]
set yrange [0.0:2.0]
set cbrange [-0.035:0.02]
plot 'output.txt' u 4:5:4 with points pointtype 31 pointsize 0.3 palette t ''

Above is the information from the notepad file

Regards
Louis-Charl

sobereva · 2021-11-07 07:24:46

This is content of script file of gnuplot. You should use gnuplot to run it, rather than directly input the path of this script file in cmd window (Windows system opens it using notepad by default). Please carefully check my video tutorial.

Louischarlc0 · 2022-02-11 19:10:16

Hi there

What command prompt can I use to generate a high quality image for fukui function or dual descriptor when using VMD?

Thanks in advance

Regards
Louis-Charl

sobereva · 2022-02-12 00:53:59

Dear Louis-Charl,

Please check Section 4.A.14 of Multiwfn manual, you can use a VMD plotting script named showcub.vmd to easily draw very nice isosurface map based on cube file exported by Multiwfn.

Best regards,

Tian

Chaitanya · 2022-08-10 06:42:42

prof. Tian Lu i tried to plot RDG scatter colored plot but not getting .ps file
I followed all steps as shown in your video also i used cmd, here i am attaching error
please help me

sobereva · 2022-08-10 08:09:56

Chaitanya wrote:

prof. Tian Lu i tried to plot RDG scatter colored plot but not getting .ps file
I followed all steps as shown in your video also i used cmd, here i am attaching error
please help me

https://i.postimg.cc/dZLBRrGK/error.png

Please do not install gnuplot on default path (i.e. C:\Program Files\...)

Chaitanya · 2022-08-10 09:56:27

Thanks a lot prof. Tian Lu issue resolved. I got .ps file
Here i would like to say after getting .ps file you can convert it from online file converter like .ps to pdf format no need to install irfanview and other stuff.

sobereva · 2022-08-11 03:08:03

Chaitanya wrote:

Thanks a lot prof. Tian Lu issue resolved. I got .ps file
Here i would like to say after getting .ps file you can convert it from online file converter like .ps to pdf format no need to install irfanview and other stuff.

You are right,https://cloudconvert.com/image-converterworks well.

partha · 2023-09-30 13:25:29

Sir, After doing IRI analysis I obtain output .txt then copying IRIscatter.gnu to Gnuplot. then running gnuplot IRIscatter.gnu in GNUPLOT folder. I found gnuplot iriscatter.gnu
^
invalid command
What to do to view IRIscatter .ps.
Yours sincerely,
Partha

sobereva · 2023-09-30 22:05:21

partha wrote:

Sir, After doing IRI analysis I obtain output .txt then copying IRIscatter.gnu to Gnuplot. then running gnuplot IRIscatter.gnu in GNUPLOT folder. I found gnuplot iriscatter.gnu
^
invalid command
What to do to view IRIscatter .ps.
Yours sincerely,
Partha

It is best to upload your screenshot. I can hardly understand your situation.

Multiwfn forum

#12021-11-04 14:10:13

GNUplot command prompt

#22021-11-04 14:19:35

Re: GNUplot command prompt

#32021-11-04 16:48:29

Re: GNUplot command prompt

#42021-11-04 17:01:04

Re: GNUplot command prompt

#52021-11-04 17:59:53

Re: GNUplot command prompt

#62021-11-04 18:29:45

Re: GNUplot command prompt

#72021-11-04 18:44:20

Re: GNUplot command prompt

#82021-11-04 18:45:20

Re: GNUplot command prompt

#92021-11-05 07:33:42

Re: GNUplot command prompt

#102021-11-05 08:16:47

Re: GNUplot command prompt

#112021-11-05 09:21:08

Re: GNUplot command prompt

#122021-11-06 08:21:20

Re: GNUplot command prompt

#132021-11-06 10:41:03

Re: GNUplot command prompt

#142021-11-06 10:44:21

Re: GNUplot command prompt

#152021-11-07 07:24:46

Re: GNUplot command prompt

#162022-02-11 19:10:16

Re: GNUplot command prompt

#172022-02-12 00:53:59

Re: GNUplot command prompt

#182022-08-10 06:42:42

Re: GNUplot command prompt

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Re: GNUplot command prompt

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#212022-08-11 03:08:03

Re: GNUplot command prompt

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Re: GNUplot command prompt

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Re: GNUplot command prompt

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