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[½»Á÷] ¡¾ÌÖÂÛ¡¿¹ØÓÚfix heat

ÔÚfix heat ÖÐÓÐN ºÍefluxÁ½¸ö²ÎÊý£¬ÆäÖÐefluxµÄµ¥Î»ÎªÄÜÁ¿/ʱ¼ä£¬Ò²¾ÍÊÇ˵µ¥Î»Ê±¼ä¶ÔgroupÔ­×Ó½øÐÐÔö/¼õµÄÄÜÁ¿ÒѾ­È·¶¨ÁË£¬ÄÇΪʲô»¹ÓгöÏÖÒ»¸öN±íʾÿ¶àÉÙʱ¼ä²½½øÐÐÒ»´ÎÔö/¼õÄÜÁ¿ÄØ£¿£¿£¿£¿£¿
Heat addition/subtraction is performed every N timesteps. The eflux parameter determines the change in aggregate energy of the entire group of atoms per unit time, e.g. in eV/psec for metal units. Thus it is an "extensive" quantity, meaning its magnitude should be scaled with the number of atoms in the group. Since eflux is independent of N or the timestep, a larger value of N will add/subtract a larger amount of energy each time the fix is invoked.
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