#!/usr/bin/python
import general_functions as gf, numpy as np, gc, PBL, PBL_stern

mol_name = 'arg'

dens = np.array([ 2. ])#, 4., 8., 16., 32. ])

for dd in dens:
 	# PBL.solvation_energy(mol_name, dd, info=True)
 	# gc.collect()
#  	PBL.solvation_energy(mol_name, dd, formulation='juffer', info=True)
#  	gc.collect()
 	#PBL_stern.solvation_energy(mol_name, dd, info=True, phi_info=True)
	#gc.collect()
  	PBL_stern.solvation_energy(mol_name, dd, formulation='asc', info=True, phi_info=True)
  	gc.collect()
# 	gf.run_pygbe(mol_name, dd, 1.4, info=True)
# 	gc.collect()

#  r_st = np.array([ .4, .6, .8, 1.2, 1.5, 2., 3., 4. ])

# for rr in r_st:
#  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, info=True)
# 	gc.collect()
#  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, formulation='asc', info=True)
#  	gc.collect()
#  	gf.run_pygbe(mol_name, 32., rr, info=True)
#  	gc.collect()


#!/usr/bin/python
import general_functions as gf, numpy as np, gc, PBL, PBL_stern

mol_name = 'arg'

dens = np.array([ 2. ])#, 4., 8., 16., 32. ])

for dd in dens:
 	# PBL.solvation_energy(mol_name, dd, info=True)
 	# gc.collect()
#  	PBL.solvation_energy(mol_name, dd, formulation='juffer', info=True)
#  	gc.collect()
 	#PBL_stern.solvation_energy(mol_name, dd, info=True, phi_info=True)
	#gc.collect()
  	PBL_stern.solvation_energy(mol_name, dd, formulation='asc', info=True, phi_info=True)
  	gc.collect()
# 	gf.run_pygbe(mol_name, dd, 1.4, info=True)
# 	gc.collect()

#  r_st = np.array([ .4, .6, .8, 1.2, 1.5, 2., 3., 4. ])

# for rr in r_st:
#  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, info=True)
# 	gc.collect()
#  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, formulation='asc', info=True)
#  	gc.collect()
#  	gf.run_pygbe(mol_name, 32., rr, info=True)
#  	gc.collect()


#!/usr/bin/python #, 4., 8., 16., 32. ]) # PBL.solvation_energy(mol_name, dd, info=True) # gc.collect() #  	PBL.solvation_energy(mol_name, dd, formulation='juffer', info=True) #  	gc.collect() #PBL_stern.solvation_energy(mol_name, dd, info=True, phi_info=True) #gc.collect() # 	gf.run_pygbe(mol_name, dd, 1.4, info=True) # 	gc.collect() #  r_st = np.array([ .4, .6, .8, 1.2, 1.5, 2., 3., 4. ]) # for rr in r_st: #  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, info=True) # 	gc.collect() #  	PBL_stern.solvation_energy(mol_name, 32., stern_radius=rr, formulation='asc', info=True) #  	gc.collect() #  	gf.run_pygbe(mol_name, 32., rr, info=True) #  	gc.collect()