Added Aditya to the list of developers

CONTRIBUTING.md

@@ -5,9 +5,6 @@
 ## Developers
 
 - He Ma (University of Chicago)
+- Aditya Tanikanti (University of Chicago)
 - Han Yang (University of Chicago)
 - Huihuo Zheng (Argonne National Laboratory)
-
-## Contributors
-
-Aditya Tanikanti
\ No newline at end of file

doc/acknowledge.rst

@@ -15,5 +15,6 @@ Developers
 ----------
 
   - He Ma (University of Chicago)
+  - Aditya Tanikanti (University of Chicago)
   - Han Yang (University of Chicago)
   - Huihuo Zheng (Argonne National Laboratory)

doc/manual.rst

@@ -61,3 +61,11 @@ Electronic Structure
     :members:
     :undoc-members:
     :show-inheritance:
+
+Session
+-------
+
+.. automodule:: westpy.session
+    :members:
+    :undoc-members:
+    :show-inheritance:

doc/tutorial.rst

@@ -13,3 +13,4 @@ Contents:
    tutorials/westpy_100.ipynb
    tutorials/westpy_101.ipynb
    tutorials/westpy_200.ipynb
+   tutorials/westpy_300.ipynb

doc/tutorials/westpy_300.ipynb

 %% Cell type:markdown id: tags:
 
-<h1>RESTful Tutorials</h1>
+# 3.0 RESTful Tutorials
 
 %% Cell type:markdown id: tags:
 
 We will show here how to interact with the remote server where the `pw.x`, `wstat.x` and `wfreq.x` are already installed.
 
 %% Cell type:markdown id: tags:
 
 We start by importing WESTPy and generating a ground state input file for methane.
 
 %% Cell type:code id: tags:
 
 ``` python
 from westpy import *
 ```
 
 %%%% Output: stream
 
     
      _    _ _____ _____ _____
     | |  | |  ___/  ___|_   _|
     | |  | | |__ \ `--.  | |_ __  _   _
     | |/\| |  __| `--. \ | | '_ \| | | |
     \  /\  / |___/\__/ / | | |_) | |_| |
      \/  \/\____/\____/  \_/ .__/ \__, |
                            | |     __/ |
                            |_|    |___/
     
     WEST version     :  3.1.1
     Today            :  2018-09-19 15:33:45.581889
 
 %% Cell type:code id: tags:
 
 ``` python
 geom = Geometry()
 ```
 
 %% Cell type:code id: tags:
 
 ``` python
 geom.setCell((25,0,0),(0,25,0),(0,0,25))
 ```
 
 %% Cell type:code id: tags:
 
 ``` python
 geom.addAtomsFromOnlineXYZ( "http://www.west-code.org/doc/training/methane/CH4.xyz" )
 ```
 
 %% Cell type:code id: tags:
 
 ``` python
 geom.addSpecies( "C", "http://www.quantum-simulation.org/potentials/sg15_oncv/upf/C_ONCV_PBE-1.0.upf")
 geom.addSpecies( "H", "http://www.quantum-simulation.org/potentials/sg15_oncv/upf/H_ONCV_PBE-1.0.upf")
 ```
 
 %% Cell type:code id: tags:
 
 ``` python
 gs = GroundState(geom,xc="PBE",ecut=40.0)
 ```
 
 %% Cell type:code id: tags:
 
 ``` python
 gs.generateInputPW()
 ```
 
 %%%% Output: stream
 
     
     Generated file:  pw.in
 
 %% Cell type:markdown id: tags:
 
 We now create a session on the remote server.
 
 %% Cell type:code id: tags:
 
 ``` python
 session = Session("your.email@domain.edu")
 ```
 
 %%%% Output: stream
 
     Check the inbox/spam folder of your email and click on the link to activate the session
 
 %% Cell type:code id: tags:
 
 ``` python
 session.status()
 ```
 
 %%%% Output: execute_result
 
     {'Active': 'True', 'Time Left': '59 minutes'}
 
 %% Cell type:code id: tags:
 
 ``` python
 download = ["http://www.quantum-simulation.org/potentials/sg15_oncv/upf/C_ONCV_PBE-1.0.upf","http://www.quantum-simulation.org/potentials/sg15_oncv/upf/H_ONCV_PBE-1.0.upf"]
 pw_output = session.run("pw","pw.in","pw.out",download,3)
 ```
 
 %%%% Output: stream
 
     Requested to run executable pw on server imedevel.uchicago.edu
     Generated  pw.out
 
 %% Cell type:markdown id: tags:
 
 We now generate the input for `wstat.x`.
 
 %% Cell type:code id: tags:
 
 ``` python
 data = {}
 data["input_west"] = {}
 data["input_west"]["qe_prefix"] = "calc"
 data["input_west"]["west_prefix"] = "calc"
 data["input_west"]["outdir"] = "./"
 data["wstat_control"] = {}
 data["wstat_control"]["wstat_calculation"] = "S"
 data["wstat_control"]["n_pdep_eigen"] = 5
 
 writeJsonFile("wstat.in",data)
 ```
 
 %%%% Output: stream
 
     
     File written :  wstat.in
 
 %% Cell type:code id: tags:
 
 ``` python
 wstat_output = session.run("wstat","wstat.in","wstat.out",download,3)
 ```
 
 %%%% Output: stream
 
     Requested to run executable wstat on server imedevel.uchicago.edu
     Generated  wstat.out
 
 %% Cell type:markdown id: tags:
 
 We now generate the input for `wfreq.x`.
 
 %% Cell type:code id: tags:
 
 ``` python
 data["wfreq_control"] = {}
 data["wfreq_control"]["wfreq_calculation"] = "XWGQ"
 data["wfreq_control"]["n_pdep_eigen_to_use"] = 5
 data["wfreq_control"]["qp_bandrange"] = [1,5]
 data["wfreq_control"]["n_refreq"] = 300
 data["wfreq_control"]["ecut_refreq"] = 2.0
 
 writeJsonFile("wfreq.in",data)
 ```
 
 %%%% Output: stream
 
     
     File written :  wfreq.in
 
 %% Cell type:code id: tags:
 
 ``` python
 wfreq_output = session.run("wfreq","wfreq.in","wfreq.out",download,3)
 ```
 
 %%%% Output: stream
 
     Requested to run executable wfreq on server imedevel.uchicago.edu
     Generated  wfreq.out
 
 %% Cell type:markdown id: tags:
 
 We now stop the session.
 
 %% Cell type:code id: tags:
 
 ``` python
 session.stop()
 ```
 
 %%%% Output: execute_result
 
     {'Success': 'Session removed and cleared'}
 
 %% Cell type:code id: tags:
 
 ``` python
 ```

westpy/session.py

@@ -6,7 +6,7 @@ class Session(object):
     :Example:
     
     >>> from westpy import *
-    >>> session = Session("email@domain.com")
+    >>> session = Session("your.email@domain.edu")
     
     """
     def __init__(self,emailId) :
@@ -52,7 +52,7 @@ class Session(object):
         :Example:
         
         >>> from westpy import *
-        >>> session = Session("email@domain.com")
+        >>> session = Session("your.email@domain.edu")
         >>> token = session.getToken()
         >>> print(token)
         
@@ -68,7 +68,7 @@ class Session(object):
         :Example:
         
         >>> from westpy import *
-        >>> session = Session("email@domain.com")
+        >>> session = Session("your.email@domain.edu")
         >>> session.stop()
         
         """
@@ -89,9 +89,8 @@ class Session(object):
         :Example:
         
         >>> from westpy import *
-        >>> session = Session("email@domain.com")
-        >>> status = session.status()
-        >>> print(status)
+        >>> session = Session("your.email@domain.edu")
+        >>> session.status()
         
         """
         
@@ -122,7 +121,7 @@ class Session(object):
         :Example:
         
         >>> from westpy import *
-        >>> session = Session("email@domain.com")
+        >>> session = Session("your.email@domain.edu")
         >>> session.run( "pw", "pw.in", "pw.out", ["http://www.quantum-simulation.org/potentials/sg15_oncv/upf/C_ONCV_PBE-1.0.upf"] , 2 )
         >>> session.stop()