User contributions
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- 18:20, 24 June 2021 (diff | hist) . . (-1) . . Sigma nu (current)
- 18:19, 24 June 2021 (diff | hist) . . (0) . . Estimate velocities (current)
- 18:18, 24 June 2021 (diff | hist) . . (0) . . Smooth (current)
- 11:10, 24 June 2021 (diff | hist) . . (+12) . . User:Miguel Caro (current)
- 11:08, 24 June 2021 (diff | hist) . . (+24) . . DoSPT (current)
- 08:07, 24 June 2021 (diff | hist) . . (+1) . . DoSPT
- 07:57, 24 June 2021 (diff | hist) . . (+44) . . DoSPT
- 07:48, 24 June 2021 (diff | hist) . . (+169) . . DoSPT
- 07:46, 24 June 2021 (diff | hist) . . (-5) . . Smooth (→Summary)
- 07:46, 24 June 2021 (diff | hist) . . (-5) . . m Sigma nu
- 07:45, 24 June 2021 (diff | hist) . . (0) . . m Sigma nu
- 07:44, 24 June 2021 (diff | hist) . . (+759) . . N Sigma nu (Created page with "The <code>sigma_nu</code> keyword is an '''optional''' keyword in the <code>input</code> file, unsed in combination with <code>smooth = .true.</code>. It takes 1 float arg...")
- 07:40, 24 June 2021 (diff | hist) . . (0) . . N File:Smooth 01.png (current)
- 07:40, 24 June 2021 (diff | hist) . . (+918) . . N Smooth (Created page with "The <code>smooth</code> keyword is an '''optional''' keyword in the <code>input</code> file. It takes 1 logical argument, <code>.true.</code> or <code>.false.</code>. When...")
- 07:28, 24 June 2021 (diff | hist) . . (+949) . . N Estimate velocities (Created page with "The <code>estimate_velocities</code> keyword is an '''optional''' keyword in the <code>input</code> file. It takes 1 logical argument, <code>.true.</code> or <code>.false....")
- 07:21, 24 June 2021 (diff | hist) . . (0) . . N File:Tutorial01 04.png (current)
- 07:21, 24 June 2021 (diff | hist) . . (+1,103) . . Tutorial 1: standard molar entropy of liquid water (current)
- 06:59, 24 June 2021 (diff | hist) . . (0) . . File:Tutorial01 03.png (Miguel Caro uploaded a new version of File:Tutorial01 03.png) (current)
- 06:58, 24 June 2021 (diff | hist) . . (0) . . File:Tutorial01 02.png (Miguel Caro uploaded a new version of File:Tutorial01 02.png) (current)
- 06:58, 24 June 2021 (diff | hist) . . (0) . . File:Tutorial01 01.png (Miguel Caro uploaded a new version of File:Tutorial01 01.png) (current)
- 06:56, 24 June 2021 (diff | hist) . . (-25) . . m Tutorial 1: standard molar entropy of liquid water (→Run DoSPT and analyze the results)
- 06:55, 24 June 2021 (diff | hist) . . (+27) . . m Tutorial 1: standard molar entropy of liquid water (→Run DoSPT and analyze the results)
- 06:52, 24 June 2021 (diff | hist) . . (+43) . . m Tutorial 1: standard molar entropy of liquid water (→Run DoSPT and analyze the results)
- 06:49, 24 June 2021 (diff | hist) . . (+1) . . m Tutorial 1: standard molar entropy of liquid water (→Prepare the DoSPT input files)
- 06:49, 24 June 2021 (diff | hist) . . (+69) . . m Tutorial 1: standard molar entropy of liquid water
- 06:47, 24 June 2021 (diff | hist) . . (+462) . . Tutorial 1: standard molar entropy of liquid water
- 07:22, 3 June 2021 (diff | hist) . . (+81) . . m DoSPT publications (current)
- 11:23, 26 May 2021 (diff | hist) . . (+325) . . DoSPT publications (→2021)
- 07:47, 16 April 2021 (diff | hist) . . (+5) . . m Topology file (current)
- 07:08, 16 April 2021 (diff | hist) . . (+92) . . Topology file
- 07:04, 16 April 2021 (diff | hist) . . (+5) . . m Topology file
- 07:04, 16 April 2021 (diff | hist) . . (+420) . . Topology file
- 06:55, 16 April 2021 (diff | hist) . . (-1) . . DoSPT
- 06:54, 16 April 2021 (diff | hist) . . (+115) . . DoSPT
- 06:54, 16 April 2021 (diff | hist) . . (+18) . . m Documentation (current)
- 06:52, 16 April 2021 (diff | hist) . . (+27) . . N Topology (Redirected page to Topology file) (current)
- 06:51, 16 April 2021 (diff | hist) . . (+5) . . Documentation
- 06:51, 16 April 2021 (diff | hist) . . (+5) . . Documentation
- 06:50, 16 April 2021 (diff | hist) . . (+1) . . m Topology file
- 06:49, 16 April 2021 (diff | hist) . . (+1) . . m Topology file
- 06:49, 16 April 2021 (diff | hist) . . (+3,166) . . N Topology file (Created page with "The <code>topology</code> file allows you to handle bond breaking and formation in your simulation. The scientific details are reported in Ref.<ref name="caro_2017" />. In ess...")
- 06:26, 16 April 2021 (diff | hist) . . (+325) . . Template:Reference list (current)
- 16:20, 8 March 2021 (diff | hist) . . (+248) . . DoSPT publications
- 16:14, 20 April 2020 (diff | hist) . . (-2) . . m DoSPT publications
- 16:14, 20 April 2020 (diff | hist) . . (+217) . . DoSPT publications
- 09:25, 17 February 2020 (diff | hist) . . (+10) . . Installation (current)
- 09:25, 17 February 2020 (diff | hist) . . (+226) . . Download the code (current)
- 15:07, 10 February 2020 (diff | hist) . . (-155) . . DoSPT
- 12:17, 20 September 2019 (diff | hist) . . (0) . . m DoSPT:About (current)
- 13:11, 29 May 2019 (diff | hist) . . (-125) . . Sample traj.xyz (current)
- 13:09, 29 May 2019 (diff | hist) . . (-135) . . Trajectory file (current)
- 12:00, 17 May 2019 (diff | hist) . . (+37) . . m DoSPT publications
- 09:38, 17 May 2019 (diff | hist) . . (+236) . . DoSPT publications
- 06:29, 17 May 2019 (diff | hist) . . (0) . . m Input file (current)
- 06:29, 17 May 2019 (diff | hist) . . (0) . . m F opt (current)
- 13:37, 16 May 2019 (diff | hist) . . (+2) . . F opt (→Monocomponent hard-sphere diameter)
- 13:36, 16 May 2019 (diff | hist) . . (+430) . . F opt
- 13:25, 16 May 2019 (diff | hist) . . (+322) . . Template:Reference list
- 10:55, 16 May 2019 (diff | hist) . . (+580) . . N F opt (Created page with "The <code>f_opt</code> keyword determines whether a "self-consistent sigma" calculation is performed to optimize the effective '''translational''' hard-sphere diameters of the...")
- 10:55, 16 May 2019 (diff | hist) . . (+292) . . Template:Reference list
- 08:20, 16 May 2019 (diff | hist) . . (+52) . . Input file
- 12:07, 3 January 2018 (diff | hist) . . (+231) . . Download the code
- 12:01, 3 January 2018 (diff | hist) . . (+43) . . N Bug list (Created page with "Bug 00003 Bug 00002 Bug 00001") (current)
- 11:58, 3 January 2018 (diff | hist) . . (+1,219) . . N Bug 00003 (Created page with "{| class="wikitable" ! style="text-align:left;"| Number ! style="text-align:left;"| Type ! style="text-align:left;"| Status ! style="text-align:left;"| Description ! style="te...") (current)
- 11:50, 3 January 2018 (diff | hist) . . (+163) . . Bugs and issues of DoSPT-0.2 (current)
- 11:45, 3 January 2018 (diff | hist) . . (-14) . . Bug 00001 (current)
- 11:45, 3 January 2018 (diff | hist) . . (+583) . . N Bug 00001 (Created page with "{| class="wikitable" ! style="text-align:left;"| Number ! style="text-align:left;"| Type ! style="text-align:left;"| Status ! style="text-align:left;"| Description ! style="te...")
- 11:44, 3 January 2018 (diff | hist) . . (+681) . . N Bug 00002 (Created page with "{| class="wikitable" ! style="text-align:left;"| Number ! style="text-align:left;"| Type ! style="text-align:left;"| Status ! style="text-align:left;"| Description ! style="te...") (current)
- 14:32, 28 December 2017 (diff | hist) . . (+193) . . Supergroups file (current)
- 12:20, 28 December 2017 (diff | hist) . . (+42) . . Tutorial 2: entropy of mixing of methanol+water (→Input files) (current)
- 19:50, 18 December 2017 (diff | hist) . . (+743) . . N Bugs and issues of DoSPT-0.2 (Created page with "This is a list of know bugs and issues with DoSPT-0.2 {| class="wikitable" |+ Bugs and issues of DoSPT version 0.2 ! style="text-align:left;"| Number ! style="text-align:left...")
- 07:11, 15 August 2017 (diff | hist) . . (+129) . . m Download the code
- 07:12, 8 August 2017 (diff | hist) . . (-15) . . Frequently asked questions (→How should I cite the DoSPT code?) (current)
- 07:11, 8 August 2017 (diff | hist) . . (-15) . . DoSPT publications (→2017)
- 10:30, 3 August 2017 (diff | hist) . . (0) . . m Download the code
- 05:57, 3 August 2017 (diff | hist) . . (+1) . . m DoSPT
- 05:56, 3 August 2017 (diff | hist) . . (-49) . . m DoSPT
- 07:20, 2 August 2017 (diff | hist) . . (+277) . . Wishlist (current)
- 07:16, 29 July 2017 (diff | hist) . . (+28) . . DoSPT
- 07:10, 29 July 2017 (diff | hist) . . (+197) . . DoSPT
- 06:22, 28 July 2017 (diff | hist) . . (+368) . . Frequently asked questions
- 06:20, 28 July 2017 (diff | hist) . . (+341) . . DoSPT publications
- 06:18, 28 July 2017 (diff | hist) . . (+107) . . m DoSPT
- 14:05, 20 July 2017 (diff | hist) . . (+12) . . m DoSPT:Privacy policy (current)
- 14:04, 20 July 2017 (diff | hist) . . (+1) . . m DoSPT:About
- 14:03, 20 July 2017 (diff | hist) . . (+2) . . m DoSPT:General disclaimer (current)
- 14:03, 20 July 2017 (diff | hist) . . (+61) . . m Format (current)
- 14:02, 20 July 2017 (diff | hist) . . (+360) . . Temperature (current)
- 14:01, 20 July 2017 (diff | hist) . . (+393) . . Cell (current)
- 13:59, 20 July 2017 (diff | hist) . . (+373) . . Tau (current)
- 13:58, 20 July 2017 (diff | hist) . . (+380) . . Points (current)
- 13:55, 20 July 2017 (diff | hist) . . (+793) . . N Points (Created page with "The <code>points</code> keyword is a '''required''' keyword in the <code>input</code> file. It takes 1 argument, the number of MD snapshots to be read from the trajector...")
- 13:48, 20 July 2017 (diff | hist) . . (+330) . . N Tau (Created page with "The <code>tau</code> keyword is a '''required''' keyword in the <code>input</code> file. It takes 1 argument, the duration of the dynamics in '''ps'''. Example: tau = 20...")
- 13:45, 20 July 2017 (diff | hist) . . (+186) . . N Temperature (Created page with "The <code>temperature</code> keyword is a '''required''' keyword in the <code>input</code> file. It takes 1 argument, the system temperature in '''K'''. Example: tempera...")
- 21:45, 19 July 2017 (diff | hist) . . (+1,070) . . N DoSPT:About (Created page with "The DoSPT code has been written by Miguel Caro in the period 2015-2017 during his employment at Aalto University. This website has been created and mainta...")
- 21:34, 19 July 2017 (diff | hist) . . (+259) . . N DoSPT:Privacy policy (Created page with "DoSPT is provided to the public on a "read-only" basis. Open registration/participation on the website, including editing its contents, by third parties is not possible. We th...")
- 21:30, 19 July 2017 (diff | hist) . . (+149) . . m DoSPT:General disclaimer
- 21:27, 19 July 2017 (diff | hist) . . (+123) . . N DoSPT:General disclaimer (Created page with "The DoSPT code and this website are provided for free, in the hope that it will be useful, but with no warranty whatsoever.")
- 21:21, 19 July 2017 (diff | hist) . . (-1) . . m Wishlist
- 21:20, 19 July 2017 (diff | hist) . . (-1) . . m Documentation
- 21:20, 19 July 2017 (diff | hist) . . (0) . . m Wishlist (Miguel Caro moved page Whishlist to Wishlist)
- 21:20, 19 July 2017 (diff | hist) . . (+22) . . N Whishlist (Miguel Caro moved page Whishlist to Wishlist) (current)
- 21:18, 19 July 2017 (diff | hist) . . (+13) . . m Cell
- 21:17, 19 July 2017 (diff | hist) . . (+42) . . m Format
- 21:16, 19 July 2017 (diff | hist) . . (+24) . . N Input (Redirected page to Input file) (current)
- 15:43, 19 July 2017 (diff | hist) . . (+950) . . N Format (Created page with "The <code>format</code> '''keyword''' determines the extension and format of the trajectory file to be read by DoSPT. === Summary === {| class="wikitable" |+ Summary for...")
- 15:31, 19 July 2017 (diff | hist) . . (+1,285) . . N Input file (Created page with "The <code>input</code> file contains most of the options and important settings that are required to run a DoSPT calculation. It also contains optional settings about things l...")
- 15:31, 19 July 2017 (diff | hist) . . (+76) . . m Trajectory file
- 13:41, 19 July 2017 (diff | hist) . . (-1) . . m DoSPT
- 12:24, 19 July 2017 (diff | hist) . . (+25) . . N Masses (Redirected page to Masses file) (current)
- 12:24, 19 July 2017 (diff | hist) . . (+919) . . N Masses file (Created page with "The <code>masses</code> file contains all the correspondences between atomic labels or names, as given in the trajectory file, and the mass of those atoms. The units are a...") (current)
- 12:16, 19 July 2017 (diff | hist) . . (+30) . . N Supergroups (Redirected page to Supergroups file) (current)
- 12:14, 19 July 2017 (diff | hist) . . (-1) . . m Supergroups file
- 12:13, 19 July 2017 (diff | hist) . . (0) . . m Supergroups file
- 12:12, 19 July 2017 (diff | hist) . . (+1,105) . . N Supergroups file (Created page with "The <code>supergroups</code> file contains information on how which groups belong to the same thermodynamic component. For instance, in a water+methanol mixture all the water...")
- 12:04, 19 July 2017 (diff | hist) . . (+137) . . Wishlist
- 19:46, 18 July 2017 (diff | hist) . . (+129) . . Wishlist
- 19:45, 18 July 2017 (diff | hist) . . (-1) . . m Cell
- 19:44, 18 July 2017 (diff | hist) . . (+5) . . m Cell
- 19:44, 18 July 2017 (diff | hist) . . (+697) . . N Cell (Created page with "The <code>cell</code> keyword is a '''required''' keyword in the <code>input</file>. It takes 3 arguments, respectively the moduli of the 3 lattice vectors of an orthorhom...")
- 19:36, 18 July 2017 (diff | hist) . . (+309) . . m Sample traj.gro (current)
- 19:34, 18 July 2017 (diff | hist) . . (+76) . . m Sample traj.gro
- 19:31, 18 July 2017 (diff | hist) . . (+35) . . m Sample traj.xyz
- 17:59, 17 July 2017 (diff | hist) . . (+2) . . m Documentation
- 17:57, 17 July 2017 (diff | hist) . . (+29) . . N Traj.*** (Redirected page to Trajectory file) (current)
- 17:57, 17 July 2017 (diff | hist) . . (+25) . . N Groups (Redirected page to Groups file) (current)
- 17:56, 17 July 2017 (diff | hist) . . (+29) . . N Traj.xyz (Redirected page to Sample traj.xyz) (current)
- 17:56, 17 July 2017 (diff | hist) . . (+29) . . N Traj.gro (Redirected page to Sample traj.gro) (current)
- 17:55, 17 July 2017 (diff | hist) . . (+652) . . m Documentation
- 17:44, 17 July 2017 (diff | hist) . . (+2,182) . . N Groups file (Created page with "The <code>groups</code> file contains information about how atoms should be grouped together. The concept of "group" in DoSPT is related to the concept of molecule in chemistr...") (current)
- 17:41, 17 July 2017 (diff | hist) . . (+184) . . Wishlist
- 17:22, 17 July 2017 (diff | hist) . . (+5) . . Bugs and issues of DoSPT-0.1 (current)
- 13:33, 17 July 2017 (diff | hist) . . (+247) . . m Trajectory file
- 13:30, 17 July 2017 (diff | hist) . . (+80) . . Sample traj.gro
- 13:29, 17 July 2017 (diff | hist) . . (+57) . . Sample traj.gro
- 13:28, 17 July 2017 (diff | hist) . . (+974) . . N Sample traj.xyz (Created page with "A "traj.xyz" trajectory file should adhere to the following convention: Number_of_atoms Name_or_comment Atom_name_1 posx posy posz Atom_name_2 posx posy posz ......")
- 13:15, 17 July 2017 (diff | hist) . . (+80) . . Sample traj.gro
- 13:15, 17 July 2017 (diff | hist) . . (+1,432) . . N Sample traj.gro (Created page with "A "traj.gro" trajectory file should adhere to the following convention: Name_or_comment Number_of_atoms Molecule_name_1 Atom_name_1 Atom_number_1 posx posy posz...")
- 13:04, 17 July 2017 (diff | hist) . . (+2,239) . . N Trajectory file (Created page with "The trajectory file contains the most important input information to carry out a DoSPT calculation: atomic positions and velocities. Ideally, the trajectory file will contain...")
- 12:18, 17 July 2017 (diff | hist) . . (-1) . . m Wishlist
- 12:17, 17 July 2017 (diff | hist) . . (+626) . . N Wishlist (Created page with "This is a wishlist for feature and functionalities that we would like DoSPT to have. {| class="wikitable" |+ DoSPT wishlist ! style="text-align:left;"| Number ! style="text-a...")
- 12:13, 17 July 2017 (diff | hist) . . (+134) . . Documentation
- 16:21, 12 July 2017 (diff | hist) . . (+51) . . m User:Miguel Caro
- 14:28, 10 July 2017 (diff | hist) . . (+1,044) . . User:Miguel Caro
- 14:25, 10 July 2017 (diff | hist) . . (0) . . N File:Pic small.png (current)
- 14:12, 10 July 2017 (diff | hist) . . (+6) . . m Download the code
- 14:11, 10 July 2017 (diff | hist) . . (+225) . . m Download the code
- 14:09, 10 July 2017 (diff | hist) . . (0) . . Installation
- 14:08, 10 July 2017 (diff | hist) . . (+7) . . DoSPT
- 14:06, 10 July 2017 (diff | hist) . . (+262) . . Download the code
- 13:16, 5 July 2017 (diff | hist) . . (+43) . . Bugs and issues of DoSPT-0.1
- 13:15, 5 July 2017 (diff | hist) . . (+10) . . Bugs and issues of DoSPT-0.1
- 08:42, 3 June 2017 (diff | hist) . . (0) . . m User:Miguel Caro
- 08:39, 3 June 2017 (diff | hist) . . (+49) . . Download the code
- 08:38, 3 June 2017 (diff | hist) . . (+587) . . N Bugs and issues of DoSPT-0.1 (Created page with "This is a list of know bugs and issues with DoSPT-0.1 {| class="wikitable" |+ Bugs and issues of DoSPT version 0.1 ! style="text-align:left;"| Number ! style="text-align:left...")
- 21:59, 18 May 2017 (diff | hist) . . (+2) . . DoSPT
- 16:46, 16 May 2017 (diff | hist) . . (+323) . . DoSPT
- 16:37, 16 May 2017 (diff | hist) . . (0) . . N File:Aalto logo.png (current)
- 16:34, 16 May 2017 (diff | hist) . . (0) . . N File:AKA logo.jpg (current)
- 16:31, 16 May 2017 (diff | hist) . . (0) . . N File:CSC logo.png (current)
- 11:00, 29 April 2017 (diff | hist) . . (-53) . . Tutorial 2: entropy of mixing of methanol+water
- 13:51, 25 April 2017 (diff | hist) . . (+16) . . DoSPT publications
- 13:50, 25 April 2017 (diff | hist) . . (+40) . . DoSPT
- 13:48, 25 April 2017 (diff | hist) . . (-54) . . DoSPT
- 13:47, 25 April 2017 (diff | hist) . . (+46) . . DoSPT
- 13:44, 25 April 2017 (diff | hist) . . (+54) . . Tutorials (current)
- 13:44, 25 April 2017 (diff | hist) . . (+6) . . m Tutorial 2: entropy of mixing of methanol+water (→Generating the trajectories)
- 13:42, 25 April 2017 (diff | hist) . . (0) . . m Tutorial 2: entropy of mixing of methanol+water (→Trajectories for analysis with DoSPY)
- 13:41, 25 April 2017 (diff | hist) . . (+51) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the trajectories)
- 11:00, 25 April 2017 (diff | hist) . . (+3) . . Tutorial 2: entropy of mixing of methanol+water (→Homework)
- 10:59, 25 April 2017 (diff | hist) . . (+45) . . Tutorial 2: entropy of mixing of methanol+water (→Homework)
- 10:58, 25 April 2017 (diff | hist) . . (+296) . . Tutorial 2: entropy of mixing of methanol+water (→Computing the excess entropy of mixing)
- 10:55, 25 April 2017 (diff | hist) . . (+158) . . Tutorial 2: entropy of mixing of methanol+water (→Computing the excess entropy of mixing)
- 10:55, 25 April 2017 (diff | hist) . . (+214) . . Template:Reference list
- 10:46, 25 April 2017 (diff | hist) . . (+764) . . Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 09:51, 25 April 2017 (diff | hist) . . (+1,365) . . Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 08:57, 25 April 2017 (diff | hist) . . (+2) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 08:57, 25 April 2017 (diff | hist) . . (+722) . . Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 07:58, 25 April 2017 (diff | hist) . . (+851) . . Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 07:09, 25 April 2017 (diff | hist) . . (-27) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 07:08, 25 April 2017 (diff | hist) . . (+1) . . m Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 07:08, 25 April 2017 (diff | hist) . . (+693) . . Tutorial 2: entropy of mixing of methanol+water (→Extracting the entropies)
- 13:33, 24 April 2017 (diff | hist) . . (+8) . . Tutorial2 script (current)
- 11:50, 24 April 2017 (diff | hist) . . (-27) . . Tutorial2 script
- 11:42, 24 April 2017 (diff | hist) . . (+198) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 03:29, 23 April 2017 (diff | hist) . . (+42) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 16:08, 21 April 2017 (diff | hist) . . (0) . . Tutorial2 script
- 15:47, 21 April 2017 (diff | hist) . . (0) . . Tutorial2 script
- 15:46, 21 April 2017 (diff | hist) . . (0) . . Tutorial2 script
- 15:38, 21 April 2017 (diff | hist) . . (+14) . . Tutorial2 script
- 15:18, 21 April 2017 (diff | hist) . . (-1) . . Tutorial 2: entropy of mixing of methanol+water (→Input files)
- 15:07, 21 April 2017 (diff | hist) . . (-1) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 15:05, 21 April 2017 (diff | hist) . . (+28) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 15:04, 21 April 2017 (diff | hist) . . (-4) . . m Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 15:03, 21 April 2017 (diff | hist) . . (+1) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 15:03, 21 April 2017 (diff | hist) . . (+62) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 15:02, 21 April 2017 (diff | hist) . . (+33) . . Tutorial2 script
- 14:59, 21 April 2017 (diff | hist) . . (+440) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 12:19, 21 April 2017 (diff | hist) . . (+2) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 12:18, 21 April 2017 (diff | hist) . . (+80) . . Tutorial2 script
- 12:17, 21 April 2017 (diff | hist) . . (+416) . . Tutorial2 script
- 12:00, 21 April 2017 (diff | hist) . . (-3) . . Tutorial2 script
- 12:00, 21 April 2017 (diff | hist) . . (+467) . . Tutorial 2: entropy of mixing of methanol+water (→Running DoSPT)
- 11:54, 21 April 2017 (diff | hist) . . (+19) . . Tutorial 2: entropy of mixing of methanol+water (→Input files)
- 11:51, 21 April 2017 (diff | hist) . . (+25) . . Tutorial 2: entropy of mixing of methanol+water (→Input files)
- 11:50, 21 April 2017 (diff | hist) . . (+1) . . Tutorial 2: entropy of mixing of methanol+water (→Input files)
- 11:48, 21 April 2017 (diff | hist) . . (+2,414) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the trajectories)
- 13:19, 20 April 2017 (diff | hist) . . (+2,081) . . N Tutorial2 script (Created page with " for i in "pure_methanol" "pure_water" "mixture_1" "mixture_2" "mixture_3" "mixture_4" "mixture_5" "mixture_6" "mixture_7" "mixture_8" "mixture_9" "mixture_10"; do if [ $i...")
- 13:14, 20 April 2017 (diff | hist) . . (0) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 13:14, 20 April 2017 (diff | hist) . . (+229) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 11:30, 20 April 2017 (diff | hist) . . (+1,202) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 11:09, 20 April 2017 (diff | hist) . . (0) . . N File:Box equilibration.png (current)
- 11:05, 20 April 2017 (diff | hist) . . (+645) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 10:46, 20 April 2017 (diff | hist) . . (+278) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 10:37, 20 April 2017 (diff | hist) . . (+984) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 10:02, 20 April 2017 (diff | hist) . . (+512) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 09:56, 20 April 2017 (diff | hist) . . (0) . . Tutorial 2: entropy of mixing of methanol+water
- 09:56, 20 April 2017 (diff | hist) . . (+1,148) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the starting configurations)
- 09:55, 20 April 2017 (diff | hist) . . (0) . . N File:Water methanol 2 1 mixture.png (current)
- 09:33, 20 April 2017 (diff | hist) . . (+1,373) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the trajectories)
- 09:27, 20 April 2017 (diff | hist) . . (+421) . . Template:Reference list
- 08:10, 20 April 2017 (diff | hist) . . (+114) . . Tutorial 2: entropy of mixing of methanol+water (→Generating the trajectories)
- 08:08, 20 April 2017 (diff | hist) . . (-16) . . Template:Reference list
- 07:53, 20 April 2017 (diff | hist) . . (+20) . . Tutorial 2: entropy of mixing of methanol+water
- 07:53, 20 April 2017 (diff | hist) . . (0) . . m Template:Reference list (Miguel Caro moved page Reference list to Template:Reference list without leaving a redirect)
- 07:52, 20 April 2017 (diff | hist) . . (+43) . . Template:Reference list
- 07:47, 20 April 2017 (diff | hist) . . (0) . . m Template:Reference list (Miguel Caro moved page Template:Reference list to Reference list without leaving a redirect)
- 07:46, 20 April 2017 (diff | hist) . . (+71) . . Tutorial 2: entropy of mixing of methanol+water
- 07:44, 20 April 2017 (diff | hist) . . (-46) . . Template:Reference list (→References)
- 07:41, 20 April 2017 (diff | hist) . . (+1) . . Template:Reference list (→References)
- 07:24, 20 April 2017 (diff | hist) . . (+14) . . Template:Reference list
- 07:11, 20 April 2017 (diff | hist) . . (-7) . . Template:Reference list (→References)
- 07:10, 20 April 2017 (diff | hist) . . (-7) . . Template:Reference list (→References)
- 07:05, 20 April 2017 (diff | hist) . . (+335) . . N Template:Reference list (Created page with "== References == <references> <ref name="caro_2016">M.A. Caro, T. Laurila, and O. Lopez-Acevedo. ''Accurate schemes for calculation of thermodynamic properties of liquid mix...")
- 07:01, 20 April 2017 (diff | hist) . . (+31) . . Tutorial 2: entropy of mixing of methanol+water
- 07:00, 20 April 2017 (diff | hist) . . (+439) . . Tutorial 2: entropy of mixing of methanol+water
- 06:54, 20 April 2017 (diff | hist) . . (+993) . . N Tutorial 2: entropy of mixing of methanol+water (Created page with "'''This tutorial is currently under construction''' When two pure liquids are put in contact the new configurations that the molecules can adopt and the new molecular interac...")
- 19:05, 3 January 2017 (diff | hist) . . (-2) . . DoSPT publications (→2016)
- 19:04, 3 January 2017 (diff | hist) . . (+377) . . N DoSPT publications (Created page with "This is a list of publications that highlight the capabilities of the DoSPT code. === 2016 === '''Miguel A. Caro, Tomi Laurila, and Olga Lopez-Acevedo''';<br /> ''Accurate s...")
- 19:03, 3 January 2017 (diff | hist) . . (+41) . . MediaWiki:Sidebar (current)
- 18:54, 3 January 2017 (diff | hist) . . (-88) . . m DoSPT
- 18:54, 3 January 2017 (diff | hist) . . (+454) . . Frequently asked questions
- 18:50, 3 January 2017 (diff | hist) . . (+400) . . DoSPT
- 11:01, 24 October 2016 (diff | hist) . . (+1) . . Documentation
- 10:59, 24 October 2016 (diff | hist) . . (+1,149) . . Documentation
- 09:14, 19 October 2016 (diff | hist) . . (+243) . . Tutorial 1: standard molar entropy of liquid water (→Run DoSPT and analyze the results)
- 09:04, 19 October 2016 (diff | hist) . . (+3) . . Tutorial 1: standard molar entropy of liquid water (→Generate the trajectory)
- 09:04, 19 October 2016 (diff | hist) . . (+38) . . Tutorial 1: standard molar entropy of liquid water (→Generate the trajectory)
- 09:03, 19 October 2016 (diff | hist) . . (-8) . . Tutorial 1: standard molar entropy of liquid water (→Generate the trajectory)
- 09:03, 19 October 2016 (diff | hist) . . (+302) . . Tutorial 1: standard molar entropy of liquid water (→Generate the trajectory)
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