aces | many computational codes of thermal conductivity
kandi X-RAY | aces Summary
kandi X-RAY | aces Summary
A wrapper for many computational codes of thermal conductivity
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Top functions reviewed by kandi - BETA
- Plots the kappa
- Plot series data
- Reshape fc
- Write data to a text file
- Generate the LMPP correlation
- Create a directory
- Creates a folder
- Action for actions
- Set parameters
- Group velocity vs tao
- Find the transformation between two atoms
- Function to plot postbol
- Compile the claps
- Rotate a 3d rotation matrix
- Draw theta of the plane
- Set fill values
- Calculate the PSA
- Compute sca1
- Calculate sca3
- Draw the lifecycle time series
- Set color
- Compute the KMF model
- Set radii
- Refine FC3
- Draw regions
- Return a LMP structure representing the molecule
aces Key Features
aces Examples and Code Snippets
Lines of Code : 26License : Strong Copyleft (GPL-2.0)
Copymkdir BP.project
cd BP.project
touch sub.py
from aces import Aces
#the origin BP structure is optimized and we use it directly
class sub(Aces):
def submit(self):
opt=dict(
units="metal",
species="BP",
method="nvt",
nodes=1,
procs unzip aces-master.zip
cd aces-master
pip install -r requirements.txt
pip install -r requirements.txt --find-links=.
python setup.py install
python -c 'import aces'
Community Discussions
Trending Discussions on aces
QUESTION
How can I get data from this website? It seems a json structure. It possible get it with BeautifulSoup?
...ANSWER
Answered 2021-Jun-05 at 10:04You can construct pandas dataframe from the data directly. For example:
QUESTION
I am trying to loop through a dataframe but I am getting a for row in i["Attachments"]: TypeError: list indices must be integers or slices, not str
My JSON file has Attachments yet it is giving me errors. I have possibly tried all ways from Stackoverflow to get this issue solved, but to my dismay none of them really worked.
this is my Json file
idx.json
...ANSWER
Answered 2021-Jun-02 at 13:15I've modified the code a little and have used dictionary for easier access and it is working great.
QUESTION
I've been looking around the internet and I still can't find an answer. I have these set of codes which, of course, inserts data to an Access Database. It works fine, however, whenever we add a new data, it doesn't append but it replaces the previous data inserted (if I am making sense). I am not sure what could be wrong or missing.
Here's the full code:
...ANSWER
Answered 2021-May-26 at 15:22What you think is happening is almost certainly not happening. Many people don't know how local data files work in VS and are confused by the apparent behaviour.
When you add a data file to your project, it is stored in the project folder with the other source files. When you build your project, that source data file is copied to the output folder with your EXE and it is that copy that you work against while debugging. No changes are made to the original.
By default, the original source file is copied over the top of your test file every time you build your project. That means that any changes you made during previous tests will be lost. If you insert a record, quit the app, make a code change and then run the project again, the data you inserted will be lost, so inserting another record will look like it replaced the previous one.
The solution is generally to simply change that default behaviour of copying on every build. Select the data file in the Solution Explorer and set the Copy to output directory property to Copy if newer instead of Copy always. That way, your test file will only be overwritten if you have made a change to the source file. You can then keep your changes across multiple debugging sessions. Simply delete the copy in the output folder and rebuild if you want to refresh it without changing the source file, or temporarily change that property back to Copy always.
QUESTION
After required project execution like crating inventor assembly model and drawing there is an ilogic error. After assembly document open LastActiveDesignViewRepresentation: Default and LastActiveLevelOfDetailRepresentation: iLogic
How to resolve this forge "INTERACTION" issue? Please note "DesignPluginLocally" module executing without any issues.
...ANSWER
Answered 2021-May-17 at 13:01There are some issues regarding component suppression on DA (Design Automation) when the document is opened IsVisble=True which is currently the default both in Inventor on the desktop and DA: https://forge.autodesk.com/blog/dealing-suppressed-components
Please try adding the /iv switch to the commandLine to open the document with IsVisible=False
https://forge.autodesk.com/en/docs/design-automation/v3/reference/cmdLine/cmdLine-inventor/
Looking further at the report, I assume you are opening the relevant LOD of the model programmatically using Open()/OpenWithOptions() - so just pass IsVisible=False to it.
Also, if you are opening the document programmatically anyway, you do not need to use the /i switch in the command line.
QUESTION
I'm pretty new working on python and this is my first "big" project. This is what I have worked on for the day. I am trying to work on this project that randomly generates a name when you click on a category and press the generate button. It randomly generates one name but when I press the generate button again it doesn't display another name. That's what I'm trying to figure out. Also if anyone doesn't mind, how can I check a box and generate a name on that category.
Thank you very much
...ANSWER
Answered 2021-May-11 at 12:44Your name choices are more naturally organized as Radiobutton widgets.
QUESTION
I'm fairly new at coding and I'm making a game in which the user plays a random card drawing game against the computer. The goal is to reach 50 points first and you reach that by drawing the cards.
For example, a 2 of Clubs should have a value of 2 and a King of Hearts should have a value of 13. The user and computer take turns drawing cards and you may continue your turn as long as you want and accumulate points, unless you draw any type of Ace or Jack, in which you lose all points for that turn and your turn ends.
In my code, I'm not sure why the user doesn't lose points and their turn doesn't end when they draw an Ace or Jack, even though there's a section of code that specifically includes an if-else statement acknowledging it. Can anyone help me?
Btw, this is as minimal as I can make the code so that you can understand how it works at its basics, while making sure that the if-else statement in question still has the same steps leading up to it. ...ANSWER
Answered 2021-May-06 at 00:11Consider the following code:
QUESTION
I'm fairly new at coding and I'm making a game in which the user plays a random card drawing game against the computer. The goal is to reach 50 points first and you reach that by drawing the cards. For example, a 2 of Clubs should have a value of 2 and a King of Hearts should have a value of 13. However, as I was editing my code, it randomly showed an error that I'm not familiar with, nor know how to fix. Can anyone help me? I've tried to fix it by adding in "global user_score, random_drawn_card, computer_score" in the game_type function, which brought another error message saying "SyntaxError: name 'user_score' is used prior to global declaration". Can anyone help me?
This is a minimal version of my code so you can disregard everything between "class Card" to "sorted_deck = [Card(n, s) for s in Card.suits for n in range(1, 14)]" ...ANSWER
Answered 2021-May-05 at 19:54I believe the problem is you are using the variable user_score before the statement global user_score.
If you want to use those global variable you should move the global ... statement at the beginning of the function (move it up one line).
QUESTION
I'm fairly new at coding and I'm making a game in which the user plays a random card drawing game against the computer. The goal is to reach 50 points first and you reach that by drawing the cards. For example, a 2 of Clubs should have a value of 2 and a King of Hearts should have a value of 13. However, as I was editing my code, it randomly showed an error that I'm not familiar with, nor know how to fix. Can anyone help me?
...ANSWER
Answered 2021-May-05 at 14:06Because you assign to user_score inside game_turn, it is a local variable everywhere in the function. As a result, the very first line is trying to use the undefined local variable user_score, not the global variable user_score. It needs to be marked as global:
QUESTION
I have this data set ao_summary
ANSWER
Answered 2021-Apr-21 at 16:56I believe you actually want selectInput with choices =
QUESTION
I'm learning Golang and as an exercise in using interfaces I'm building a toy program. I'm having some problem trying to use a type that "should implement" two interfaces - one way to solve that in C++ and Java would be to use inheritance(there are other techniques, but I think that is the most common). As I lack that mechanism in Golang, I'm not sure how to proceed about it. Below is the code:
...ANSWER
Answered 2021-Apr-16 at 13:06Not entirely sure if this is what you are looking for but you could try embedding the other interface in Card interface as shown below.
Community Discussions, Code Snippets contain sources that include Stack Exchange Network
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Install aces
After downloading you can run. to install the dependecies. If you are offline, you can download the reqirements by. and all the dependencies will be downloaded to the current directory. After copy them to your target computer you can run. to install the dependecies.
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