#!/usr/bin/python ''' !----------------------------------------------------------------------------! ! Script to get ivalidate.dat indices from y.dat and ivalidateall.dat ! ! Pavlo O. Dral, Xiamen University, 2019-2020 ! !----------------------------------------------------------------------------! Usage: python ivalidate.txt ''' iall = [] with open('ivalidateall.dat', 'r') as fiall: for line in fiall: iall.append(int(line)) ni = 0 ivalidate = [] with open('y.dat', 'r') as fenergies: for line in fenergies: ni += 1 if ni in iall: if float(line) <= 10000.0: ivalidate.append(ni) with open('ivalidate.dat', 'w') as fi: for ni in ivalidate: fi.writelines('%d\n' % ni)