yuanpeng / rmc2cif_win_linux
0 likes
0 forks
1 files
Last active
1 | data2config -noannotate -order [Ga P O] -supercell [1 1 1] -cif gapo4_xray.rmc6f |
yuanpeng / slurm_example.sh
0 likes
0 forks
1 files
Last active
1 | #!/bin/bash |
2 | # |
3 | #SBATCH --job-name=MY_JOB_NAME |
4 | #SBATCH --output=MY_OUTPUT_NAME.out |
5 | # |
6 | #SBATCH --ntasks=1 |
7 | #SBATCH --cpus-per-task=4 |
8 | #SBATCH --time=1000000:00 |
9 | #SBATCH --mem-per-cpu=256 |
yuanpeng / snippet.py
0 likes
0 forks
1 files
Last active
1 | if "-" in str(energy_theory[0]): |
2 | energy_theory = energy_theory[1:] |
3 | Percentage_theory = Percentage_theory[1:] |
yuanpeng / rebin_example.py
0 likes
0 forks
1 files
Last active
1 | from mantid.simpleapi import * |
2 | import matplotlib.pyplot as plt |
3 | import numpy as np |
4 | |
5 | |
6 | def rebin_data(datax, datay, xmin, xmax, xbin): |
7 | """Rebin input data with specified binning params |
8 | |
9 | Parameters: |
10 | datax (numpy.ndarray): Input data X array |
yuanpeng / submit.slurm
0 likes
0 forks
2 files
Last active
Run Jobs on NERSC
-
First, download the RMCProfile package on Linux platform here and untar it somewhere in our home directory. Once logged onto NERSC from terminal, we can do this,
cd SOMEWHERE wget https://yr.iris-home.net/rmclinux -O RMCProfile_V6.7.9_Linux_64.tgz tar xzvf RMCProfile_V6.7.9_Linux_64.tgz
yuanpeng / si_mts.json
0 likes
0 forks
1 files
Last active
1 | { |
2 | "Facility": "SNS", |
3 | "Instrument": "NOM", |
4 | "Title": "NOM_Si_640d_sgb_12_by_12", |
5 | "Sample": { |
6 | "Runs": "197077", |
7 | "Background": { |
8 | "Runs": "197075", |
9 | "Background": { |
10 | "Runs": "197073" |
yuanpeng / res_filter_template.json
0 likes
0 forks
1 files
Last active
1 | { |
2 | "Facility": "SNS", |
3 | "Instrument": "NOM", |
4 | "Title": "ceriaDP375_PAC06_at_300K_IDL_Calib_rf_on", |
5 | "Sample": { |
6 | "Runs": "143157", |
7 | "Background": { |
8 | "Runs": "143230", |
9 | "Background": { |
10 | "Runs": "143074" |
yuanpeng / ADDIE Nginx Configuration
0 likes
0 forks
1 files
Last active
1 | user www-data; |
2 | worker_processes auto; |
3 | pid /run/nginx.pid; |
4 | include /etc/nginx/modules-enabled/*.conf; |
5 | error_log /var/log/nginx/error.log; |
6 | |
7 | include /usr/share/nginx/modules/*.conf; |
8 | |
9 | events { |
10 | worker_connections 1024; |
yuanpeng / G2full_ARMmac.sh
0 likes
0 forks
1 files
Last active
1 | WORKSPACE=/tmp |
2 | condaHome=/tmp/conda311 |
3 | |
4 | gitInstallRepo=[email protected]:AdvancedPhotonSource/GSAS-II-buildtools.git |
5 | gitCodeRepo=https://github.com/AdvancedPhotonSource/GSAS-II.git |
6 | |
7 | pyver=3.11 |
8 | numpyver=1.26 |
9 | |
10 | packages="python=$pyver wxpython numpy=$numpyver scipy matplotlib pyopengl conda anaconda-client git gitpython requests pillow h5py imageio scons cython seekpath" |
Newer
Older