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谢谢回复
1.Initial command:
/home/test/g16/l1.exe "/home/test/tmp/Gau-45062.inp" -scrdir="/home/test/tmp/"
Entering Link 1 = /home/test/g16/l1.exe PID= 45063.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 16 program. It is based on
the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
Initial command:
/home/test/g16/l1.exe "/home/test/tmp/Gau-45062.inp" -scrdir="/home/test/tmp/"
Entering Link 1 = /home/test/g16/l1.exe PID= 45063.
Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
Gaussian, Inc. All Rights Reserved.
This is part of the Gaussian(R) 16 program. It is based on
the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
University), and the Gaussian 82(TM) system (copyright 1983,
Carnegie Mellon University). Gaussian is a federally registered
trademark of Gaussian, Inc.
比如我想截取第一个Initial command:到第一个trademark of Gaussian, Inc之间的内容,
dd = re.compile(r'Initial\scommand:([\s\S]+)trademark\sof\sGaussian,\sInc')
for one in dd.findall(text):
print(one)
但是这样截取的是整个段落,我可以怎么做呢
2.谢谢提供的函数,
A = np.array([[1, 2], [3, 4],[1,4]])
B = np.array([[5, 6], [7, 8],[5,8]])
计算对应行的cosα,我自己这么计算也算蛮快了 |
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