Eeqq2nqi.m - Revision history

Kuprov: Update function See also links and function index membership

2026-06-06T18:36:12Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:48:34Z

Rename Arguments section heading to Parameters

Kuprov: Spot-edit Spinach function page first-line NOTOC and template fields

2026-06-05T17:27:47Z

Spot-edit Spinach function page first-line NOTOC and template fields

Kuprov: Normalise sequential blank lines

2026-04-25T11:24:23Z

Normalise sequential blank lines

Kuprov: Restore pre-bulk-edit wiki content

2026-04-05T14:48:29Z

Restore pre-bulk-edit wiki content

Kuprov: Sync syntax/arguments/outputs with current Spinach source

2026-04-05T14:02:52Z

Sync syntax/arguments/outputs with current Spinach source

Admin at 10:27, 6 August 2018

2018-08-06T10:27:15Z

Admin at 10:26, 6 August 2018

2018-08-06T10:26:55Z

Admin: Created page with "Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz. Usage: Q=eeqq2nqi(C_q,eta_q,I,euler_angle..."

2015-11-02T15:50:33Z

Created page with "Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz. Usage: Q=eeqq2nqi(C_q,eta_q,I,euler_angle..."

New page

Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz. Usage:

Q=eeqq2nqi(C_q,eta_q,I,euler_angles)

where C_q is the quadrupolar coupling constant (Hz), eta_q is the quadrupolar tensor asymmetry parameter, I is the spin quantum number and the last parameter is a vector of three Euler angles in radians, giving the orientation of the principal axis frame relative to the lab frame.

@@ Line 31: / Line 31: @@
 ==See also==
-[[rlx_nqi.m]], [[castep2nqi.m]], [[zfs2mat.m]], [[anas2mat.m]]
+[[rlx_nqi.m]], [[castep2nqi.m]], [[zfs2mat.m]], [[anas2mat.m]], [[ang2cgsppm.m]], [[axrh2mat.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[frac2cart.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2axrh.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[spsk2mat.m]], [[tsm2param.m]], [[xyz2dd.m]], [[Kernel_utilities]]
 ''Version 2.2, authors: [[Ilya Kuprov]]''

@@ Line 6: / Line 6: @@
       Q=eeqq2nqi(C_q,eta_q,I,euler_angles)
-==Arguments==
+==Parameters==
       C_q          - quadrupolar coupling constant e^2*q*Q/h

← Older revision		Revision as of 17:27, 5 June 2026
Line 1:		Line 1:
−	{{DISPLAYTITLE:eeqq2nqi.m}}	+	{{DISPLAYTITLE:eeqq2nqi.m}} __NOTOC__
	Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.		Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.

@@ Line 32: / Line 32: @@
 ==See also==
 [[rlx_nqi.m]], [[castep2nqi.m]], [[zfs2mat.m]], [[anas2mat.m]]
 ''Version 2.2, authors: [[Ilya Kuprov]]''

@@ Line 1: / Line 1: @@
-{{DISPLAYTITLE:eeqq2nqi.m}} __NOTOC__
+{{DISPLAYTITLE:eeqq2nqi.m}}
 Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.
 ==Syntax==
-Q=eeqq2nqi(C_q,eta_q,I,eulers)
+     Q=eeqq2nqi(C_q,eta_q,I,euler_angles)
 ==Arguments==
-C_q          - quadrupolar coupling constant e^2*q*Q/h
+     C_q          - quadrupolar coupling constant e^2*q*Q/h
                      in Hz
@@ Line 22: / Line 21: @@
 ==Outputs==
-Q            - quadrupolar coupling tensor as a 3x3
+     Q            - quadrupolar coupling tensor as a 3x3
                      matrix in Hz
 ==Examples==
 Most quadrupolar NMR examples in examples/nmr_solids and examples/optimal_control make use of this function.
 ==Notes==
 We do not recommend storing quadrupolar tensors in Cq/eta_q format - the 3x3 matrix is always better. This function is provided for historical compatibility reasons.
 ==See also==
 [[rlx_nqi.m]], [[castep2nqi.m]], [[zfs2mat.m]], [[anas2mat.m]]
 ''Version 2.2, authors: [[Ilya Kuprov]]''

← Older revision		Revision as of 10:27, 6 August 2018
Line 1:		Line 1:
−	{{DISPLAYTITLE:eeqq2nqi.m.m}}	+	{{DISPLAYTITLE:eeqq2nqi.m}}
	Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.		Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.