i]atom=Atom('Si',coord)b=a+atomdmin=np.array([b.get_distance(i,-1,mic=True)foriinrange(len(b)-1)]).min()if(dmin>2.2anddmin<3):print(ifile)write("temp.vasp",b)break
我知道一个函数ase.atoms.get_distance,但我不知道如何使用它。 还有其他功能我可以使用以及如何使用它? 看答案 如果你知道的话 atom 对象在你的 atoms 您可能会做一些像原子[1] .get_position和原子[2] .get_position和减去向量的东西。智能推荐如何计算字符串里有特殊字符(转义字符)的长度 提示: (1)计算...
external_calc:外部计算器配置文件。 # ga_p_local.pyfromrandomimportrandomfromase.ioimportwritefromtimeimportsleepfromase.ga.dataimportDataConnectionfromase.ga.populationimportPopulationfromase.ga.standard_comparatorsimportInteratomicDistanceComparatorfromase.ga.cutandsplicepairingimportCutAndSplicePairingfromase.ga....
Distance 735 mi Frequently asked questions How much is a United Airlines flight from Pitkin County Airport (ASE) to Los Angeles Intl. Airport (LAX)? Landing cheap one-way United Airlines flights from ASE to LAX from $124 on Expedia is easy — just filter by “Price (lowest to highest)....
Distance 1121 mi Flights from Aspen (ASE) to San José del Cabo (SJD) with United ❓ How much is a flight ticket from Aspen (ASE) to San José del Cabo (SJD) with United? ✔️ Prices were available within the past 7 days and start at $195 for one-way flights ...
Deplacement :Un mouvement : une distance, un type, une unité de mesure. Loop :Une boucle : une expression booléenne, un ensemble d'instructions. Rotation :Une rotation avec un angle et un sens de rotation. SetSpeed :Le réglage de la vitesse : une unité de mesure, une valeur. ...
master ase calculators cluster data dft examples gui io lattice md optimize tasks test transport utils visualize __init__.py all.py atom.py atoms.py constraints.py dimer.py infrared.py neb.py old.py parallel.py phonons.py quaternions.py ...
What is the flight distance from Logan Intl. Airport to Aspen/Pitkin County Airport? You’ll need to travel about 1,900 mi from BOS to Pitkin County Airport (ASE) before you can kick-start your thrilling adventures. Grab a beverage when the drink cart rolls by and watch a couple of you...
Distance Distance To Drive Nonstop To Fly Cost To Drive HalfwayMeeting planner for Aurora, Colorado and Aspen-Pitkin County AirportTo schedule a conference call or plan a meeting at the best time for both parties, you should try between 9:00 AM and 5:00 PM your time in Aurora, CO. Tha...
What is the flight distance from Fort Lauderdale - Hollywood Intl. Airport (FLL) to Aspen/Pitkin County Airport? Covering 1,800 mi between FLL and FLL calls for a glass of red and some screen time. Adjust your seat, relax and simply enjoy the journey. ...