Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Feature : Add deepks_v_delta, which can help to train DeepKS model with loss term about Hamiltonian, psi and band #4594

Merged
merged 25 commits into from
Jul 12, 2024
Merged
Changes from 1 commit
Commits
Show all changes
25 commits
Select commit Hold shift + click to select a range
2eb44d7
Add deepks_v_delta, which can help to train DeepKS model with los…
xuan112358 Jul 3, 2024
802f135
debug: I used the index of nlm_save incorrectly
xuan112358 Jul 3, 2024
f65dc9e
add integration test
xuan112358 Jul 3, 2024
8c5d15e
add check functions for unit test
xuan112358 Jul 7, 2024
e3db5b9
add doc for INPUT parameter deepks_v_delta
xuan112358 Jul 7, 2024
11b992b
merge
xuan112358 Jul 7, 2024
923ebc8
Merge branch 'develop' into develop
xuan112358 Jul 7, 2024
6c65c45
[pre-commit.ci lite] apply automatic fixes
pre-commit-ci-lite[bot] Jul 7, 2024
c142c55
transfer datatype of h_mat from double* to std::vector
xuan112358 Jul 8, 2024
41c5b73
use mn_size to prevent calculate many times; initilize iic; avoid usi…
xuan112358 Jul 8, 2024
671a905
modify the integration test into a smaller example
xuan112358 Jul 8, 2024
6b54395
Merge branch 'deepmodeling:develop' into develop
xuan112358 Jul 8, 2024
49c3db5
Merge branch 'develop' of https://github.com/xuan112358/abacus-develo…
xuan112358 Jul 8, 2024
23abc69
Merge branch 'deepmodeling:develop' into develop
xuan112358 Jul 8, 2024
356efab
[pre-commit.ci lite] apply automatic fixes
pre-commit-ci-lite[bot] Jul 8, 2024
086c260
add const
xuan112358 Jul 9, 2024
d1939b2
Merge branch 'develop' of https://github.com/xuan112358/abacus-develo…
xuan112358 Jul 9, 2024
ed41c95
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
xuan112358 Jul 9, 2024
5848ddd
Fix: bug in merge
xuan112358 Jul 10, 2024
a2ef441
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
xuan112358 Jul 10, 2024
040ce7a
Merge branch 'develop' of https://github.com/deepmodeling/abacus-deve…
xuan112358 Jul 12, 2024
77f8257
place model file and jle.orb in Model_ProjOrb to save memory
xuan112358 Jul 12, 2024
6eb44e7
[pre-commit.ci lite] apply automatic fixes
pre-commit-ci-lite[bot] Jul 12, 2024
d5dce94
Merge branch 'develop' into develop
xuan112358 Jul 12, 2024
4f1355f
Merge branch 'develop' into develop
mohanchen Jul 12, 2024
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Prev Previous commit
Next Next commit
Merge branch 'deepmodeling:develop' into develop
xuan112358 authored Jul 8, 2024
commit 23abc692761f472cb16243bb2716910e5f404dd7

This merge commit was added into this branch cleanly.

There are no new changes to show, but you can still view the diff.