Eric Hermes ehermes
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| execve("/usr/bin/curl", ["curl", "-v", "outlook.office.com"], [/* 84 vars */]) = 0 | |
| brk(NULL) = 0xb47000 | |
| mmap(NULL, 4096, PROT_READ|PROT_WRITE, MAP_PRIVATE|MAP_ANONYMOUS, -1, 0) = 0x7fdd80c03000 | |
| access("/etc/ld.so.preload", R_OK) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) |
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| execve("/usr/bin/curl", ["curl", "-v", "outlook.office.com"], [/* 84 vars */]) = 0 | |
| brk(NULL) = 0xb47000 | |
| mmap(NULL, 4096, PROT_READ|PROT_WRITE, MAP_PRIVATE|MAP_ANONYMOUS, -1, 0) = 0x7fdd80c03000 | |
| access("/etc/ld.so.preload", R_OK) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) |
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| execve("/usr/bin/curl", ["curl", "-v", "outlook.office.com"], [/* 84 vars */]) = 0 | |
| brk(NULL) = 0xb47000 | |
| mmap(NULL, 4096, PROT_READ|PROT_WRITE, MAP_PRIVATE|MAP_ANONYMOUS, -1, 0) = 0x7fdd80c03000 | |
| access("/etc/ld.so.preload", R_OK) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) |
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| execve("/usr/bin/curl", ["curl", "-v", "outlook.office.com"], [/* 84 vars */]) = 0 | |
| brk(NULL) = 0xb47000 | |
| mmap(NULL, 4096, PROT_READ|PROT_WRITE, MAP_PRIVATE|MAP_ANONYMOUS, -1, 0) = 0x7fdd80c03000 | |
| access("/etc/ld.so.preload", R_OK) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/tls/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/tls", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) | |
| open("/home/ehermes/build/torch/install/lib/x86_64/libcurl.so.4", O_RDONLY|O_CLOEXEC) = -1 ENOENT (No such file or directory) | |
| stat("/home/ehermes/build/torch/install/lib/x86_64", 0x7ffd991ee240) = -1 ENOENT (No such file or directory) |
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| from __future__ import division, print_function | |
| from random import shuffle | |
| def makedeck(ncards): | |
| deck = range(ncards) | |
| shuffle(deck) | |
| return deck | |
| def inorder(deck): |
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| from __future__ import division, print_function | |
| from random import shuffle | |
| ncards = 60 | |
| deck = range(ncards) | |
| shuffle(deck) | |
| def inorder(deck): | |
| for i, j in enumerate(deck): |
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| !!! Generated by ASE !!! | |
| &GLOBAL | |
| PROJECT cp2k | |
| &END GLOBAL | |
| &FORCE_EVAL | |
| METHOD Quickstep | |
| STRESS_TENSOR ANALYTICAL | |
| &STRESS_TENSOR ON | |
| &END STRESS_TENSOR |
ehermes
/ bands_Si.py
Created
October 31, 2016 20:13
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| from ase.build.bulk import bulk | |
| from ase.calculators.vasp import Vasp | |
| from ase.io import read | |
| from ase.dft.band_structure import BandStructure | |
| si = bulk('Si', 'diamond', a=5.4) | |
| si.calc = Vasp(kpts=(4, 4, 4), xc='PBE') | |
| si.get_potential_energy() | |
| si.calc.set(icharg=11, # Read charge density from CHGCAR |
ehermes
/ bands_Si.py
Created
October 31, 2016 19:42
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| from ase.build.bulk import bulk | |
| from ase.calculators.vasp import Vasp | |
| from ase.dft.kpoints import bandpath | |
| from ase.io import read | |
| from ase.dft.band_structure import BandStructure | |
| si = bulk('Si', 'diamond', a=5.4) | |
| si.calc = Vasp(kpts=(4, 4, 4), xc='PBE', ediff=1e-6) | |
| si.calc.clean() | |
| si.get_potential_energy() |
ehermes
/ bands_Si.py
Created
October 31, 2016 18:02
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| kpts, kcart, kcartspecial = bandpath('WLGXWK', si.cell, npoints=100) | |
| si.calc.set(icharg=11, # Read charge density from CHGCAR | |
| kpts=kpts, | |
| isym=0) |