Dipolar.m - Revision history

Kuprov: removed link to deleted function page summary.m (removed per IK instruction 2026-08-30)

2026-08-30T09:12:04Z

removed link to deleted function page summary.m (removed per IK instruction 2026-08-30)

Kuprov: Update function See also links and function index membership

2026-06-06T18:35:59Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:48:25Z

Rename Arguments section heading to Parameters

Kuprov: Normalise sequential blank lines

2026-04-25T11:24:22Z

Normalise sequential blank lines

Admin at 10:37, 27 December 2018

2018-12-27T10:37:05Z

Admin at 10:36, 27 December 2018

2018-12-27T10:36:45Z

Admin: Created page with "Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of Spinach kernel, direct calls are discouraged. Use [[xyz..."

2015-11-02T15:42:19Z

Created page with "Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of Spinach kernel, direct calls are discouraged. Use [[xyz..."

New page

Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of Spinach kernel, direct calls are discouraged. Use [[xyz2dd.m]] to convert Cartesian coordinates to dipolar couplings.

@@ Line 20: / Line 20: @@
 ==See also==
-[[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]], [[banner.m]], [[cacheman.m]], [[compile_mex.m]], [[existentials.m]], [[exorcise.m]], [[forum.m]], [[hebrew.m]], [[iseye.m]], [[patrol.m]], [[rearm.m]], [[report.m]], [[sniff.m]], [[summary.m]], [[symmetry.m]], [[tolerances.m]], [[wiki.m]], [[wipe_cache.m]], [[Kernel_utilities]]
+[[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]], [[banner.m]], [[cacheman.m]], [[compile_mex.m]], [[existentials.m]], [[exorcise.m]], [[forum.m]], [[hebrew.m]], [[iseye.m]], [[patrol.m]], [[rearm.m]], [[report.m]], [[sniff.m]], [[symmetry.m]], [[tolerances.m]], [[wiki.m]], [[wipe_cache.m]], [[Kernel_utilities]]
 ''Version 2.3, authors: [[Ilya Kuprov]]''

@@ Line 20: / Line 20: @@
 ==See also==
-[[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]]
+[[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]], [[banner.m]], [[cacheman.m]], [[compile_mex.m]], [[existentials.m]], [[exorcise.m]], [[forum.m]], [[hebrew.m]], [[iseye.m]], [[patrol.m]], [[rearm.m]], [[report.m]], [[sniff.m]], [[summary.m]], [[symmetry.m]], [[tolerances.m]], [[wiki.m]], [[wipe_cache.m]], [[Kernel_utilities]]
 ''Version 2.3, authors: [[Ilya Kuprov]]''

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       spin_system=dipolar(spin_system)
-==Arguments==
+==Parameters==
       spin_system   - Spinach data object containing infor-

@@ Line 21: / Line 21: @@
 ==See also==
 [[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]]
 ''Version 2.3, authors: [[Ilya Kuprov]]''

← Older revision		Revision as of 10:37, 27 December 2018
Line 1:		Line 1:
−	{{DISPLAYTITLE:~~function~~.m}} __NOTOC__	+	{{DISPLAYTITLE:dipolar.m}} __NOTOC__
	Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of ''Spinach'' kernel, direct calls are discouraged. Use [[xyz2dd.m]] and [[xyz2hfc.m]] to convert Cartesian coordinates into dipolar and hyperfine couplings respectively.		Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of ''Spinach'' kernel, direct calls are discouraged. Use [[xyz2dd.m]] and [[xyz2hfc.m]] to convert Cartesian coordinates into dipolar and hyperfine couplings respectively.

← Older revision		Revision as of 10:36, 27 December 2018
Line 1:		Line 1:
−	Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of Spinach kernel, direct calls are discouraged. Use [[xyz2dd.m]] to convert Cartesian coordinates to dipolar couplings.	+	{{DISPLAYTITLE:function.m}} __NOTOC__
		+	Computes dipolar couplings in the presence or absence of periodic boundary conditions. This is an auxiliary function of ''Spinach'' kernel, direct calls are discouraged. Use [[xyz2dd.m]] and [[xyz2hfc.m]] to convert Cartesian coordinates into dipolar and hyperfine couplings respectively.
		+
		+	==Syntax==
		+
		+	spin_system=dipolar(spin_system)
		+
		+	==Arguments==
		+
		+	spin_system - Spinach data object containing infor-
		+	mation about chemical subsystems, ato-
		+	mic coordinates, and periodic bounda-
		+	ry conditions
		+
		+	==Outputs==
		+
		+	spin_system - Spinach data object with the interac-
		+	tion arrays updated with dipolar and
		+	hyperfine coupling information
		+
		+	==See also==
		+	[[xyz2dd.m]], [[xyz2hfc.m]], [[xyz2pms.m]]
		+
		+
		+	''Version 2.3, authors: [[Ilya Kuprov]]''