Adding LEOS interface #340

jmikeowen · 2025-04-18T20:51:24Z

Summary

This PR is a feature
It does the following:
- Adding EquationOfState interface for using the Livermore Equation of State (LEOS) package
- Requires access to the LEOS third-party library, which is only available at LLNL

ToDo :

Annotate RELEASE_NOTES.md with notable changes.
Create LLNLSpheral PR pointing at this branch. (PR#133)
LLNLSpheral PR has passed all tests.

…ancement. Also cleaned up some stuff in the Integrator package.

cleaned up a few details (int->size_t for sizes of arrays handed back a few places, and DataBase Python interface for getting NodeList arrays), and these had wide ranging impact in terms of touching a lot of files. No substantive changes to most of these files however.

change. In the process I removed some inline headers which resulted in including fewer headers across other classes. This cascaded into touching a lot of files to include those where necessary, which is most of the files touched in this commit. It's still worthwhile getting unnecessary includes out of headers so I went with it.

…nknown types

…kwardEuler implicit integrator

use with implicit integration and packing the solution vector. Our logic for picking the independent state to be packed though needs to be improved.

PYB11Generator, and updated our use of this in Spheral accordingly

memory rather than copying.

updated tests

…tion

non-MPI builds from using it

I'm sure there's a better way to do this...

jmikeowen added 30 commits October 21, 2024 13:24

Introducing a new ImplicitIntegrator base class for implicit time adv…

1bcf6bd

…ancement. Also cleaned up some stuff in the Integrator package.

Fixing a few references to the now renamed ForwardEuler integrator

b7d0611

Initial whack at adding a rudimentary implicit integrator

d51fe67

Merge branch 'develop' into feature/ImplicitTimeIntegration

4398bff

Fixes for clang insanity with structured bindings

a125f8a

Adding residual calculation for smoothing scales

a78049d

Interim work on implicit integration

687f190

Making copyState and assingment with State objects fail when we hit u…

f458deb

…nknown types

Simplifying the Integrator interfaces a bit, and more work on the Bac…

af89a77

…kwardEuler implicit integrator

Cleaned up some unitialized variables pointed out by valgrind

2dc49ef

Fixed graphics on this test

78f2333

Got around our SEGV's, but implicit integration results not good yet

1e33a8a

Merge branch 'develop' into feature/ImplicitTimeIntegration

eda9d40

Compiling but untested

c75f6f1

Using DeprecationWarning

8d28d05

First stage of adding serialization logic to state and policies for

b5dc7a2

use with implicit integration and packing the solution vector. Our logic for picking the independent state to be packed though needs to be improved.

Fiddling with how we serialize the State to vector<double>

f3654d5

Serializing state and derivs to vector<double> for implicit integration

39a1ef6

Adding option for State::update to only update dependent state

c70dc7e

Checkpoint (moving BackwardEuler to LLNLSpheral for now)

a274832

Different approach to dependent/independent state update for implicit

2ee7e17

Python binding update

fb60831

Adding Sundials as a TPL

e2bfa2a

Got KINSOL from Sundials working in C++ wrappers

b054ab7

Fixed overloading of virtual operator() <->__call__ mapping in

024f41b

PYB11Generator, and updated our use of this in Spheral accordingly

Adding KINSOL unit test

01e8749

Checkpoint testing backward Euler

cdecd35

Exposing access to KINSOL tolerance parameters. Also using input data

12e4354

memory rather than copying.

jmikeowen added 30 commits April 4, 2025 15:56

Simplifying our deviatoric stress evolution

36a307d

Fixing RZ and Spherical solid constructors

38d3bda

Fixing the colliding plates test

bd06363

Unified our deviatoric stress evolution across hydro options, and

6661eef

updated tests

Updating Verney-2d test for current code and adding FSISPH

ac2374d

Merge branch 'develop' into feature/ImplicitTimeIntegration

9017c3e

Fix for building with KINSOl statically from Landon

d09c298

Merge branch 'feature/FSISPH/update' into feature/ImplicitTimeIntegra…

27dcaf3

…tion

Turning off default enablement of timers

fba3635

Testing out FSISPH with the tensile rod

7c3db61

Missing override keyword

414119c

Merge branch 'develop' into feature/ImplicitTimeIntegration

54130d3

Sundials requires mpi (at least as we're building it), so protect

20c4e38

non-MPI builds from using it

Test updates/fixes

748e257

Removing unused variable

a384429

Adding header for size_t

2213bda

Removing unnecessary headers

13f1772

Trying to get our non-MPI build to also exclude Sudials

3741b90

Trying to get Sundials to find its configuration

732141c

Fixes for non-MPI (non-Sundials) builds and testing

5b72e98

Tightening up the Sundials package requirements a bit

8c83521

Updated RELEASE_NOTES

82303da

Logic making LEOS an optional variant for Spheral TPLs with Spack.

8e586dc

I'm sure there's a better way to do this...

Initial port of LEOS to Spheral

6c6df40

LEOS testing

e0b64cd

Updating RELEASE_NOTES

612f409

Restricting LEOS to MPI enabled builds

7b289d8

Seems not all machines have LEOS stored in the same place

54be27a

Having the LEOS path in two places is not great -- need to fix that

17848ff

Better screening for LEOS tests

06ffb10

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Adding LEOS interface #340

Adding LEOS interface #340

jmikeowen commented Apr 18, 2025 •

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Adding LEOS interface #340

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Adding LEOS interface #340

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jmikeowen commented Apr 18, 2025 • edited Loading

Summary

ToDo :

jmikeowen commented Apr 18, 2025 •

edited

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