Merge branch 'main' into compathelper/new_version/2022-08-13-01-08-01…

…-813-02621664836
nmayhall-vt · Aug 1, 2023 · 7634cb6 · 7634cb6
2 parents a665c6e + 70e2aeb
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diff --git a/Manifest.toml b/Manifest.toml
@@ -1,5 +1,20 @@
 # This file is machine-generated - editing it directly is not advised
 
+[[ArgTools]]
+uuid = "0dad84c5-d112-42e6-8d28-ef12dabb789f"
+
+[[Arpack]]
+deps = ["Arpack_jll", "Libdl", "LinearAlgebra", "Logging"]
+git-tree-sha1 = "9b9b347613394885fd1c8c7729bfc60528faa436"
+uuid = "7d9fca2a-8960-54d3-9f78-7d1dccf2cb97"
+version = "0.5.4"
+
+[[Arpack_jll]]
+deps = ["Artifacts", "CompilerSupportLibraries_jll", "JLLWrappers", "Libdl", "OpenBLAS_jll", "Pkg"]
+git-tree-sha1 = "5ba6c757e8feccf03a1554dfaf3e26b3cfc7fd5e"
+uuid = "68821587-b530-5797-8361-c406ea357684"
+version = "3.5.1+1"
+
 [[Artifacts]]
 uuid = "56f22d72-fd6d-98f1-02f0-08ddc0907c33"
 
@@ -10,10 +25,40 @@ uuid = "2a0f44e3-6c83-55bd-87e4-b1978d98bd5f"
 deps = ["Artifacts", "Libdl"]
 uuid = "e66e0078-7015-5450-92f7-15fbd957f2ae"
 
+[[Dates]]
+deps = ["Printf"]
+uuid = "ade2ca70-3891-5945-98fb-dc099432e06a"
+
+[[Downloads]]
+deps = ["ArgTools", "LibCURL", "NetworkOptions"]
+uuid = "f43a241f-c20a-4ad4-852c-f6b1247861c6"
+
 [[InteractiveUtils]]
 deps = ["Markdown"]
 uuid = "b77e0a4c-d291-57a0-90e8-8db25a27a240"
 
+[[JLLWrappers]]
+deps = ["Preferences"]
+git-tree-sha1 = "abc9885a7ca2052a736a600f7fa66209f96506e1"
+uuid = "692b3bcd-3c85-4b1f-b108-f13ce0eb3210"
+version = "1.4.1"
+
+[[LibCURL]]
+deps = ["LibCURL_jll", "MozillaCACerts_jll"]
+uuid = "b27032c2-a3e7-50c8-80cd-2d36dbcbfd21"
+
+[[LibCURL_jll]]
+deps = ["Artifacts", "LibSSH2_jll", "Libdl", "MbedTLS_jll", "Zlib_jll", "nghttp2_jll"]
+uuid = "deac9b47-8bc7-5906-a0fe-35ac56dc84c0"
+
+[[LibGit2]]
+deps = ["Base64", "NetworkOptions", "Printf", "SHA"]
+uuid = "76f85450-5226-5b5a-8eaa-529ad045b433"
+
+[[LibSSH2_jll]]
+deps = ["Artifacts", "Libdl", "MbedTLS_jll"]
+uuid = "29816b5a-b9ab-546f-933c-edad1886dfa8"
+
 [[Libdl]]
 uuid = "8f399da3-3557-5675-b5ff-fb832c97cbdb"
 
@@ -27,18 +72,45 @@ git-tree-sha1 = "d1b46faefb7c2f48fdec69e6f3cc34857769bc15"
 uuid = "7a12625a-238d-50fd-b39a-03d52299707e"
 version = "3.8.0"
 
+[[Logging]]
+uuid = "56ddb016-857b-54e1-b83d-db4d58db5568"
+
 [[Markdown]]
 deps = ["Base64"]
 uuid = "d6f4376e-aef5-505a-96c1-9c027394607a"
 
+[[MbedTLS_jll]]
+deps = ["Artifacts", "Libdl"]
+uuid = "c8ffd9c3-330d-5841-b78e-0817d7145fa1"
+
+[[MozillaCACerts_jll]]
+uuid = "14a3606d-f60d-562e-9121-12d972cd8159"
+
+[[NetworkOptions]]
+uuid = "ca575930-c2e3-43a9-ace4-1e988b2c1908"
+
 [[OpenBLAS_jll]]
 deps = ["Artifacts", "CompilerSupportLibraries_jll", "Libdl"]
 uuid = "4536629a-c528-5b80-bd46-f80d51c5b363"
 
+[[Pkg]]
+deps = ["Artifacts", "Dates", "Downloads", "LibGit2", "Libdl", "Logging", "Markdown", "Printf", "REPL", "Random", "SHA", "Serialization", "TOML", "Tar", "UUIDs", "p7zip_jll"]
+uuid = "44cfe95a-1eb2-52ea-b672-e2afdf69b78f"
+
+[[Preferences]]
+deps = ["TOML"]
+git-tree-sha1 = "7eb1686b4f04b82f96ed7a4ea5890a4f0c7a09f1"
+uuid = "21216c6a-2e73-6563-6e65-726566657250"
+version = "1.4.0"
+
 [[Printf]]
 deps = ["Unicode"]
 uuid = "de0858da-6303-5e67-8744-51eddeeeb8d7"
 
+[[REPL]]
+deps = ["InteractiveUtils", "Markdown", "Sockets", "Unicode"]
+uuid = "3fa0cd96-eef1-5676-8a61-b3b8758bbffb"
+
 [[Random]]
 deps = ["SHA", "Serialization"]
 uuid = "9a3f8284-a2c9-5f02-9a11-845980a1fd5c"
@@ -49,6 +121,9 @@ uuid = "ea8e919c-243c-51af-8825-aaa63cd721ce"
 [[Serialization]]
 uuid = "9e88b42a-f829-5b0c-bbe9-9e923198166b"
 
+[[Sockets]]
+uuid = "6462fe0b-24de-5631-8697-dd941f90decc"
+
 [[SparseArrays]]
 deps = ["LinearAlgebra", "Random"]
 uuid = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
@@ -57,9 +132,33 @@ uuid = "2f01184e-e22b-5df5-ae63-d93ebab69eaf"
 deps = ["LinearAlgebra", "SparseArrays"]
 uuid = "10745b16-79ce-11e8-11f9-7d13ad32a3b2"
 
+[[TOML]]
+deps = ["Dates"]
+uuid = "fa267f1f-6049-4f14-aa54-33bafae1ed76"
+
+[[Tar]]
+deps = ["ArgTools", "SHA"]
+uuid = "a4e569a6-e804-4fa4-b0f3-eef7a1d5b13e"
+
+[[UUIDs]]
+deps = ["Random", "SHA"]
+uuid = "cf7118a7-6976-5b1a-9a39-7adc72f591a4"
+
 [[Unicode]]
 uuid = "4ec0a83e-493e-50e2-b9ac-8f72acf5a8f5"
 
+[[Zlib_jll]]
+deps = ["Libdl"]
+uuid = "83775a58-1f1d-513f-b197-d71354ab007a"
+
 [[libblastrampoline_jll]]
 deps = ["Artifacts", "Libdl", "OpenBLAS_jll"]
 uuid = "8e850b90-86db-534c-a0d3-1478176c7d93"
+
+[[nghttp2_jll]]
+deps = ["Artifacts", "Libdl"]
+uuid = "8e850ede-7688-5339-a07c-302acd2aaf8d"
+
+[[p7zip_jll]]
+deps = ["Artifacts", "Libdl"]
+uuid = "3f19e933-33d8-53b3-aaab-bd5110c3b7a0"
diff --git a/Project.toml b/Project.toml
@@ -4,6 +4,7 @@ authors = ["Nick Mayhall <nmayhall@vt.edu> and contributors"]
 version = "0.1.0"
 
 [deps]
+Arpack = "7d9fca2a-8960-54d3-9f78-7d1dccf2cb97"
 InteractiveUtils = "b77e0a4c-d291-57a0-90e8-8db25a27a240"
 LinearAlgebra = "37e2e46d-f89d-539d-b4ee-838fcccc9c8e"
 LinearMaps = "7a12625a-238d-50fd-b39a-03d52299707e"

diff --git a/README.md b/README.md
@@ -2,3 +2,38 @@
 
 [![Build Status](https://github.com/nmayhall-vt/BlockDavidson.jl/actions/workflows/CI.yml/badge.svg?branch=main)](https://github.com/nmayhall-vt/BlockDavidson.jl/actions/workflows/CI.yml?query=branch%3Amain)
 [![Coverage](https://codecov.io/gh/nmayhall-vt/BlockDavidson.jl/branch/main/graph/badge.svg)](https://codecov.io/gh/nmayhall-vt/BlockDavidson.jl)
+
+---
+Simple code to solve for the eigenvectors/eigenvalues of a matrix or `LinearMap`. Preconditioner has not yet been implemented, so this is currently just a simple block lanczos code. 
+
+## Example usage 
+
+### Explicit matrix diagonalization
+
+```julia
+dav = Davidson(A)
+e,v = eigs(dav)
+```
+to use the diagonal preconditioner specify as argument to eigs
+```julia
+e,v = eigs(dav, Adiag=diag(A))
+```
+
+### Matrix-free diagonalization 
+
+We can also diagonalize an implicit matrix by defining a function `matvec` that algorithmically implments the action of `A` onto a vector or set of vectors. We can also specify several settings, including providing an initial guess `v_guess`:
+```julia
+using LinearMaps
+function matvec(v)
+    return A*v. # implement this however is appropriate
+end
+
+
+lmap = LinearMap(matvec)
+dav = Davidson(lmap; max_iter=200, max_ss_vecs=8, tol=1e-6, nroots=6, v0=v_guess, lindep_thresh=1e-10)
+e,v = eigs(dav)
+```
+
+Convergence issues:
+- the implementation is still not as robust as it should be, with loss of orthogonality making it very difficult to converge tightly in some scenarios. If this is the case, try tightening `lindep_thresh`. Whenever the determinant of the subspace drops below this value, the algorithm is restarted. As such, if it's too loose, then the correction vectors aren't very accurate after orthogonalization. If it's too tight, then it restarts too frequently, slowing down convergence. 
+