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Symbols
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S
Symbols
--behler
sannp command line option
--behler-temp
sannp command line option
--classical
sannp command line option
--cpu
sannp command line option
--dft
sannp command line option
--export
sannp command line option
--force
sannp command line option
--force-field
sannp command line option
--force-test
sannp command line option
--lammps
sannp command line option
--mc
sannp command line option
--mc-temp
sannp command line option
--metro
sannp command line option
--metro-temp
sannp command line option
--monte-carlo
sannp command line option
--monte-carlo-temp
sannp command line option
--omp
sannp command line option
--qe
sannp command line option
--quantum-espresso
sannp command line option
--que
sannp command line option
--split
sannp command line option
--split-train
sannp command line option
--stop
sannp command line option
--stop-training
sannp command line option
--temp
sannp command line option
--template
sannp command line option
--test
sannp command line option
--test-with-bias
sannp command line option
--test-without-bias
sannp command line option
--train
sannp command line option
--train-charge
sannp command line option
--train-energy
sannp command line option
-mode
python-traj_to_train.py command line option
-output_file
python-traj_to_train.py command line option
-start
python-traj_to_train.py command line option
-step
python-traj_to_train.py command line option
A
ADVANCED_LICENSE_FILE
,
[1]
,
[2]
,
[3]
E
environment variable
ADVANCED_LICENSE_FILE
,
[1]
,
[2]
,
[3]
LD_LIBRARY_PATH
,
[1]
,
[2]
OMP_NUM_THREADS
OPAL_PREFIX
,
[1]
PATH
,
[1]
,
[2]
,
[3]
Path
,
[1]
,
[2]
,
[3]
L
LD_LIBRARY_PATH
,
[1]
,
[2]
O
OMP_NUM_THREADS
OPAL_PREFIX
,
[1]
P
PATH
,
[1]
,
[2]
,
[3]
Path
,
[1]
,
[2]
,
[3]
python-traj_to_train.py command line option
-mode
-output_file
-start
-step
S
sannp command line option
--behler
--behler-temp
--classical
--cpu
--dft
--export
--force
--force-field
--force-test
--lammps
--mc
--mc-temp
--metro
--metro-temp
--monte-carlo
--monte-carlo-temp
--omp
--qe
--quantum-espresso
--que
--split
--split-train
--stop
--stop-training
--temp
--template
--test
--test-with-bias
--test-without-bias
--train
--train-charge
--train-energy
Table of Contents
Index:
Theory
Installation
Basic Usage
Additional Features
Usage of Automatic Force Field Generation (Self-learning Hybrid Monte Carlo Method)
Version Information
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Advance/NeuralMD documentation
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