CYANA Macro: forall - Revision history

Miki at 14:58, 12 January 2010

2010-01-12T14:58:18Z

← Older revision		Revision as of 16:58, 12 January 2010
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	== Parameters ==		== Parameters ==

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	== Description ==		== Description ==

	This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user ''commands'', and copies the structure back to the structure memory. Optionally, ~~it is possible to '''save'''~~ the structures as angle files with names ''dnnnmmm''.ang (''nnn'' denotes the current process number, and ''mmm'' the structure number). The calculation may be executed in '''parallel''' (if the INCLAN variable '''nproc''' has a value larger than 1). ~~For example:~~		This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user ''commands'', and copies the structure back to the structure memory. Optionally, the structures are saved as angle files with names ''dnnnmmm''.ang (''nnn'' denotes the current process number, and ''mmm'' the structure number) before they are copied back. The calculation may be executed in '''parallel''' (if the INCLAN variable '''nproc''' has a value larger than 1).

	~~'''forall parallel "vtfmin steps=100,800; angstat make"'''~~

	~~This command minimizes~~ all selected structures using the macro '''vtfmin''' with the given number of steps and include the resulting structures into the angle statistics.		'''forall parallel "vtfmin steps=100,800; angstat make"'''
			Minimize all selected structures using the macro '''vtfmin''' with the given number of steps and include the resulting structures into the angle statistics.

Masayo: /* Description */

2009-08-12T11:58:16Z

Description

← Older revision		Revision as of 13:58, 12 August 2009
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	This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user ''commands'', and copies the structure back to the structure memory. Optionally, it is possible to '''save''' the structures as angle files with names ''dnnnmmm''.ang (''nnn'' denotes the current process number, and ''mmm'' the structure number). The calculation may be executed in '''parallel''' (if the INCLAN variable '''nproc''' has a value larger than 1). For example:		This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user ''commands'', and copies the structure back to the structure memory. Optionally, it is possible to '''save''' the structures as angle files with names ''dnnnmmm''.ang (''nnn'' denotes the current process number, and ''mmm'' the structure number). The calculation may be executed in '''parallel''' (if the INCLAN variable '''nproc''' has a value larger than 1). For example:

	forall parallel "vtfmin steps=100,800; angstat make"		'''forall parallel "vtfmin steps=100,800; angstat make"'''

	This command minimizes all selected structures using the macro '''vtfmin''' with the given number of steps and include the resulting structures into the angle statistics.		This command minimizes all selected structures using the macro '''vtfmin''' with the given number of steps and include the resulting structures into the angle statistics.

Masayo: /* Description */

2009-08-07T12:24:15Z

Description

← Older revision		Revision as of 14:24, 7 August 2009
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	== Description ==		== Description ==

	This macro performs a loop over all selected structures, copies them into		This macro performs a loop over all selected structures, copies them into the structure memory #0, executes the user ''commands'', and copies the structure back to the structure memory. Optionally, it is possible to '''save''' the structures as angle files with names ''dnnnmmm''.ang (''nnn'' denotes the current process number, and ''mmm'' the structure number). The calculation may be executed in '''parallel''' (if the INCLAN variable '''nproc''' has a value larger than 1). For example:
	the structure memory #0, executes the user commands, and copies the
	structure back to the structure memory. Optionally, the structures ~~are~~
	~~saved~~ as angle files with ~~name~~ dnnnmmm.ang (nnn denotes the current
	process number, and mmm the structure number) ~~before they are copied back~~.
	The calculation may be executed in parallel (if the ~~Inclan~~ variable nproc
	has a value larger than 1).

	forall parallel "vtfmin steps=100,800; angstat make"		forall parallel "vtfmin steps=100,800; angstat make"
	~~Minimize~~ all selected structures using the macro vtfmin with the given
	number of steps and include the resulting structures into the angle		This command minimizes all selected structures using the macro '''vtfmin''' with the given number of steps and include the resulting structures into the angle statistics.
	statistics.

Admin: 1 revision

2009-01-29T11:26:58Z

1 revision

New page

== Parameters ==

; ''parameters''
; save
; parallel
; skip

== Description ==

This macro performs a loop over all selected structures, copies them into
the structure memory #0, executes the user commands, and copies the
structure back to the structure memory. Optionally, the structures are
saved as angle files with name dnnnmmm.ang (nnn denotes the current
process number, and mmm the structure number) before they are copied back.
The calculation may be executed in parallel (if the Inclan variable nproc
has a value larger than 1).

forall parallel "vtfmin steps=100,800; angstat make"
Minimize all selected structures using the macro vtfmin with the given
number of steps and include the resulting structures into the angle
statistics.