Stylistic changes

i-pi · Oct 16, 2018 · 60ecca8 · 60ecca8
1 parent 0e84d60
commit 60ecca8
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Showing 2 changed files with 8 additions and 8 deletions.
diff --git a/ipi/engine/thermostats.py b/ipi/engine/thermostats.py
@@ -21,8 +21,8 @@
 from ipi.engine.normalmodes import NormalModes
 
 
-__all__ = ['Thermostat', 'ThermoLangevin', 'ThermoPILE_L', 'ThermoPILE_G', 'ThermoSVR',
-           'ThermoGLE', 'ThermoNMGLE', 'ThermoNMGLEG', 'ThermoCL', 'MultiThermo', 'ThermoFFL']
+__all__ = ['Thermostat', 'ThermoLangevin', 'ThermoFFL', 'ThermoPILE_L', 'ThermoPILE_G', 'ThermoSVR',
+           'ThermoGLE', 'ThermoNMGLE', 'ThermoNMGLEG', 'ThermoCL', 'MultiThermo']
 
 
 class Thermostat(dobject):

diff --git a/ipi/inputs/thermostats.py b/ipi/inputs/thermostats.py
@@ -51,8 +51,8 @@ class InputThermoBase(Input):
     """
 
     attribs = {"mode": (InputAttribute, {"dtype": str,
-                                         "options": ["", "langevin", "svr", "pile_l", "pile_g", "gle", "nm_gle", "nm_gle_g", "cl", "FFL"],
-                                         "help": "The style of thermostatting. 'langevin' specifies a white noise langevin equation to be attached to the cartesian representation of the momenta. 'svr' attaches a velocity rescaling thermostat to the cartesian representation of the momenta. Both 'pile_l' and 'pile_g' attaches a white noise langevin thermostat to the normal mode representation, with 'pile_l' attaching a local langevin thermostat to the centroid mode and 'pile_g' instead attaching a global velocity rescaling thermostat. 'gle' attaches a coloured noise langevin thermostat to the cartesian representation of the momenta, 'nm_gle' attaches a coloured noise langevin thermostat to the normal mode representation of the momenta and a langevin thermostat to the centroid and 'nm_gle_g' attaches a gle thermostat to the normal modes and a svr thermostat to the centroid. 'cl' represents a modified langevin thermostat which compensates for additional white noise from noisy forces or for dissipative effects. 'FFL' is the fast-forward langevin thermostat, in which momenta are flipped back whenever the action of the thermostat changes its direction. 'multiple' is a special thermostat mode, in which one can define multiple thermostats _inside_ the thermostat tag."
+                                         "options": ["", "langevin", "svr", "pile_l", "pile_g", "gle", "nm_gle", "nm_gle_g", "cl", "ffl"],
+                                         "help": "The style of thermostatting. 'langevin' specifies a white noise langevin equation to be attached to the cartesian representation of the momenta. 'svr' attaches a velocity rescaling thermostat to the cartesian representation of the momenta. Both 'pile_l' and 'pile_g' attaches a white noise langevin thermostat to the normal mode representation, with 'pile_l' attaching a local langevin thermostat to the centroid mode and 'pile_g' instead attaching a global velocity rescaling thermostat. 'gle' attaches a coloured noise langevin thermostat to the cartesian representation of the momenta, 'nm_gle' attaches a coloured noise langevin thermostat to the normal mode representation of the momenta and a langevin thermostat to the centroid and 'nm_gle_g' attaches a gle thermostat to the normal modes and a svr thermostat to the centroid. 'cl' represents a modified langevin thermostat which compensates for additional white noise from noisy forces or for dissipative effects. 'ffl' is the fast-forward langevin thermostat, in which momenta are flipped back whenever the action of the thermostat changes its direction. 'multiple' is a special thermostat mode, in which one can define multiple thermostats _inside_ the thermostat tag."
                                          })}
     fields = {"ethermo": (InputValue, {"dtype": float,
                                        "default": 0.0,
@@ -91,7 +91,7 @@ class InputThermoBase(Input):
                                     "dimension": "time"}),
               "flip": (InputValue, {"dtype": str,
                                     "default": "rescale",
-                                    "help": "Flipping type for FFL thermostat ('soft', 'hard', 'rescale', 'none')"})
+                                    "help": "Flipping type for ffl thermostat ('soft', 'hard', 'rescale', 'none')"})
               }
 
     dynamic = {}
@@ -150,7 +150,7 @@ def store(self, thermo):
             self.idtau.store(thermo.idtau)
             self.apat.store(thermo.apat)
         elif type(thermo) is ethermostats.ThermoFFL:
-            self.mode.store("FFL")
+            self.mode.store("ffl")
             self.tau.store(thermo.tau)
             self.flip.store(thermo.flip)
         elif type(thermo) is ethermostats.Thermostat:
@@ -199,7 +199,7 @@ def fetch(self):
             thermo.s = self.s.fetch()
         elif self.mode.fetch() == "cl":
             thermo = ethermostats.ThermoCL(tau=self.tau.fetch(), intau=self.intau.fetch(), idtau=self.idtau.fetch(), apat=self.apat.fetch())
-        elif self.mode.fetch() == "FFL":
+        elif self.mode.fetch() == "ffl":
             thermo = ethermostats.ThermoFFL(tau=self.tau.fetch(),flip=self.flip.fetch())
         elif self.mode.fetch() == "":
             thermo = ethermostats.Thermostat()
@@ -216,7 +216,7 @@ def check(self):
         super(InputThermoBase, self).check()
         mode = self.mode.fetch()
 
-        if mode in ["langevin", "svr", "pile_l", "pile_g", "nm_gle_g", "FFL"]:
+        if mode in ["langevin", "svr", "pile_l", "pile_g", "nm_gle_g", "ffl"]:
             if self.tau.fetch() <= 0:
                 raise ValueError("The thermostat friction coefficient must be set to a positive value")
         if mode == "cl":