Assume.m - Revision history

Kuprov: Document the 'cavity' and 'spin-phonon' assumption sets and mode retention rules (PR 195)

2026-08-06T04:41:24Z

Document the 'cavity' and 'spin-phonon' assumption sets and mode retention rules (PR 195)

Kuprov: Update function See also links and function index membership

2026-06-06T18:34:28Z

Update function See also links and function index membership

Kuprov: Rename Arguments section heading to Parameters

2026-06-05T17:47:22Z

Rename Arguments section heading to Parameters

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

2026-06-05T17:27:37Z

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

Kuprov: Normalise sequential blank lines

2026-04-25T11:22:40Z

Normalise sequential blank lines

Kuprov: Add See also section to function-description page

2026-04-25T11:15:16Z

Add See also section to function-description page

Kuprov: Restore pre-bulk-edit wiki content

2026-04-05T14:47:53Z

Restore pre-bulk-edit wiki content

Kuprov: Separate syntax block from notes/tables

2026-04-05T14:15:12Z

Separate syntax block from notes/tables

Kuprov: Normalise remaining wiki page to current Spinach source header

2026-04-05T14:13:35Z

Normalise remaining wiki page to current Spinach source header

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

2026-04-05T14:11:49Z

Sync syntax/arguments/outputs with current Spinach source

@@ Line 17: / Line 17: @@
 |-
 |'labframe'
-|Laboratory frame simulation for electrons, laboratory frame simulation for nuclei; all terms for electron Zeeman interactions; all terms for nuclear Zeeman interactions; all terms for giant spin model interactions; all terms for all couplings.
+|Laboratory frame simulation for electrons, laboratory frame simulation for nuclei; all terms for electron Zeeman interactions; all terms for nuclear Zeeman interactions; all terms for giant spin model interactions; all terms for all couplings. Bosonic modes are allowed and stay in the laboratory frame with all of their interaction terms retained.
 |-
 |'qnmr'
@@ Line 24: / Line 24: @@
 |'deer-zz'
 |A special assumption set for DEER simulations with flip-flop terms switched off in the inter-electron coupling Hamiltionian: rotating frame approximation for electrons; laboratory frame simulation for nuclei; secular terms for electron Zeeman interactions; all terms for nuclear Zeeman interactions; weak terms for inter-electron couplings; secular terms for electron zero-field splittings; secular terms for giant spin model interactions; weak and pseudosecular terms for hyperfine couplings; all terms for inter-nuclear couplings; all terms for nuclear quadrupolar couplings.
 |}
@@ Line 38: / Line 44: @@
 |all Zeeman interactions are ignored
 |}
 Some pulse sequences (notably those dealing with DNP) set their own assumptions internally before calling the Hamiltonian generation function. To that end, assume.m function also contains more specialized assumption sets – see the function code for further information.
@@ Line 63: / Line 71: @@
       'labframe' for full laboratory frame simulation
-      with all Hamiltonian terms retained
+      with all Hamiltonian terms retained;
       'qnmr'     for quadrupolar NMR with numerical
@@ Line 70: / Line 81: @@
       spin>1/2 particles initially in the
       laboratory frame
       retention   - 'zeeman' drops all spin-spin interactions
@@ Line 80: / Line 113: @@
 ==See also==
-[[create.m]], [[basis.m]], [[crystal.m]], [[doublerot.m]], [[residual.m]], [[Kernel_functions]], [[Kernel_contexts]]
+[[create.m]], [[basis.m]], [[crystal.m]], [[doublerot.m]], [[residual.m]], [[device.m]], [[rlx_modes.m]], [[Kernel_functions]], [[Kernel_contexts]]
 ''Version 1.9, authors: [[Ilya Kuprov]]''

@@ Line 80: / Line 80: @@
 ==See also==
-[[Create.m]], [[Basis.m]], [[Crystal.m]], [[Doublerot.m]], [[Kernel_contexts|Kernel contexts]]
+[[create.m]], [[basis.m]], [[crystal.m]], [[doublerot.m]], [[residual.m]], [[Kernel_functions]], [[Kernel_contexts]]
 ''Version 1.9, authors: [[Ilya Kuprov]]''

@@ Line 51: / Line 51: @@
       spin_system=assume(spin_system,assumptions,retention)
-==Arguments==
+==Parameters==
       assumptions - 'nmr'  for high-field NMR)

@@ Line 1: / Line 1: @@
 Sets case-specific assumptions for various simulation contexts. This function determines the behaviour of the Hamiltonian generation function and should be called before the Hamiltonian is requested. Syntax:
@@ Line 45: / Line 46: @@
 User-specified assumptions are ignored when generating thermal equilibrium states and relaxation superoperators – assumption sets for those functions are fixed by the nature of the physical problems that they solve.
 ==See also==

@@ Line 1: / Line 1: @@
 Sets case-specific assumptions for various simulation contexts. This function determines the behaviour of the Hamiltonian generation function and should be called before the Hamiltonian is requested. Syntax:
       spin_system=assume(spin_system,assumptions,retention)
@@ Line 48: / Line 45: @@
 User-specified assumptions are ignored when generating thermal equilibrium states and relaxation superoperators – assumption sets for those functions are fixed by the nature of the physical problems that they solve.
 ==See also==

← Older revision		Revision as of 11:15, 25 April 2026
Line 49:		Line 49:
	User-specified assumptions are ignored when generating thermal equilibrium states and relaxation superoperators – assumption sets for those functions are fixed by the nature of the physical problems that they solve.		User-specified assumptions are ignored when generating thermal equilibrium states and relaxation superoperators – assumption sets for those functions are fixed by the nature of the physical problems that they solve.

		+
		+	==See also==
		+	[[Create.m]], [[Basis.m]], [[Crystal.m]], [[Doublerot.m]], [[Kernel_contexts\|Kernel contexts]]

	''Version 1.9, authors: [[Ilya Kuprov]]''		''Version 1.9, authors: [[Ilya Kuprov]]''

← Older revision		Revision as of 14:11, 5 April 2026
Line 1:		Line 1:
	Sets case-specific assumptions for various simulation contexts. This function determines the behaviour of the Hamiltonian generation function and should be called before the Hamiltonian is requested. Syntax:		Sets case-specific assumptions for various simulation contexts. This function determines the behaviour of the Hamiltonian generation function and should be called before the Hamiltonian is requested. Syntax:
		+