https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibrations/Recent changes to Developers.Variables.vibrationsenFri, 31 May 2013 12:25:32 -0000https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibrations/<div class="markdown_content"><pre>--- v6 +++ v7 @@ -3,22 +3,9 @@ This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_Vibrations.m](Users.Programs.mol_Vibrations) MATLAB function. It is a structured variable that should initially containing the following fields : -movie ------ -* toggle movies of normal modes -* example: true (logical) - -amplitude ---------- -* amplitude of vibrations -* example: 1.0 (real number, in units of dimensionless normal coordinates) - -scan ----- -* toggle scanning along normal coordinates -* example: true (logical) - -coordinate ----------- -* values of normal coordinate scans -* example: linspace(-1.0, +1.0, 21) (vector of real number, in units of dimensionless normal coordinates) +field | description +---|--- +movie | toggle movies of normal modes (logical) +amplitude| amplitude of vibrations (real number, in units of dimensionless normal coordinates) +scan | toggle scanning along normal coordinates (logical) +coordinate | range of normal coordinate scans, e. g., linspace(-1.0, +1.0, 21) (vector of real number, in units of dimensionless normal coordinates) </pre> </div>Burkhard SchmidtFri, 31 May 2013 12:25:32 -0000https://sourceforge.netc1cf2ec838a4d17bb4ad8386f43804b36188bb54https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibrations/<pre>--- v5 +++ v6 @@ -6,12 +6,12 @@ movie ----- * toggle movies of normal modes -* example: true +* example: true (logical) amplitude --------- * amplitude of vibrations -* example: 1.0 +* example: 1.0 (real number, in units of dimensionless normal coordinates) scan ---- @@ -21,4 +21,4 @@ coordinate ---------- * values of normal coordinate scans -* example: linspace(-1.0, +1.0, 21); +* example: linspace(-1.0, +1.0, 21) (vector of real number, in units of dimensionless normal coordinates) </pre>Burkhard SchmidtTue, 27 Nov 2012 19:29:16 -0000https://sourceforge.net4120eb61354c312971cdbb60c0fa9d0d380b3ba2https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibrations/<pre>--- v4 +++ v5 @@ -1,4 +1,4 @@ -Variable "vibration" in MolDynSim +Variable "vibrations" in MolDynSim ================================== This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_Vibrations.m](Users.Programs.mol_Vibrations) MATLAB function. It is a structured variable that should initially containing the following fields : </pre>Burkhard SchmidtTue, 27 Nov 2012 19:27:06 -0000https://sourceforge.net2feefc2456f8c289e79d343abfc7b85b0f75ffb4https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibration/<pre>--- v3 +++ v4 @@ -1,8 +1,24 @@ Variable "vibration" in MolDynSim ================================== -This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_Vibrations.m](Users.Programs.mol_Vibrations) MATLAB script. It is a structured variable containing the following fields : +This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_Vibrations.m](Users.Programs.mol_Vibrations) MATLAB function. It is a structured variable that should initially containing the following fields : -* to be written -* to be written -* .... +movie +----- +* toggle movies of normal modes +* example: true + +amplitude +--------- +* amplitude of vibrations +* example: 1.0 + +scan +---- +* toggle scanning along normal coordinates +* example: true (logical) + +coordinate +---------- +* values of normal coordinate scans +* example: linspace(-1.0, +1.0, 21); </pre>Burkhard SchmidtTue, 27 Nov 2012 19:25:38 -0000https://sourceforge.net462ca7fa2edb8b803e561d523b320b615e13a8e0https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibration/<pre>--- v2 +++ v3 @@ -1,7 +1,7 @@ Variable "vibration" in MolDynSim ================================== -This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_vib.m](Users.Programs.mol_vib) MATLAB script. It is a structured variable containing the following fields : +This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_Vibrations.m](Users.Programs.mol_Vibrations) MATLAB script. It is a structured variable containing the following fields : * to be written * to be written </pre>Burkhard SchmidtTue, 27 Nov 2012 14:57:00 -0000https://sourceforge.net615c861f1f1213c1f36361a190ffe303da43b356https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibration/<pre>--- v1 +++ v2 @@ -1,7 +1,7 @@ Variable "vibration" in MolDynSim ================================== -A structured variable containing the following fields : +This variable specifies details of the normal mode analysis (molecular vibrations) in our [mol_vib.m](Users.Programs.mol_vib) MATLAB script. It is a structured variable containing the following fields : * to be written * to be written </pre>Burkhard SchmidtTue, 13 Nov 2012 10:23:15 -0000https://sourceforge.netb674f2c47d6f14705808cdea9351287f537147e8https://sourceforge.net/p/trajlab/moldynsim/wiki/Developers.Variables.vibration/Variable "vibration" in MolDynSim ================================== A structured variable containing the following fields : * to be written * to be written * ....Burkhard SchmidtTue, 13 Nov 2012 10:06:43 -0000https://sourceforge.nete8aa21e9042d99aa2327767c919335454c46ce56