warp-md 0.1.4__tar.gz → 0.1.5__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (70) hide show
  1. {warp_md-0.1.4 → warp_md-0.1.5}/Cargo.lock +6 -6
  2. {warp_md-0.1.4 → warp_md-0.1.5}/PKG-INFO +1 -1
  3. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/Cargo.toml +1 -1
  4. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/Cargo.toml +1 -1
  5. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-gpu/Cargo.toml +1 -1
  6. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/Cargo.toml +1 -1
  7. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-kernels/Cargo.toml +1 -1
  8. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-py/Cargo.toml +1 -1
  9. {warp_md-0.1.4 → warp_md-0.1.5}/pyproject.toml +1 -1
  10. {warp_md-0.1.4 → warp_md-0.1.5}/Cargo.toml +0 -0
  11. {warp_md-0.1.4 → warp_md-0.1.5}/LICENSE +0 -0
  12. {warp_md-0.1.4 → warp_md-0.1.5}/MANIFEST.in +0 -0
  13. {warp_md-0.1.4 → warp_md-0.1.5}/README.md +0 -0
  14. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/elements.rs +0 -0
  15. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/error.rs +0 -0
  16. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/frame.rs +0 -0
  17. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/interner.rs +0 -0
  18. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/lib.rs +0 -0
  19. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/selection.rs +0 -0
  20. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/src/system.rs +0 -0
  21. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/correlators/mod.rs +0 -0
  22. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/correlators/multi_tau.rs +0 -0
  23. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/correlators/ring.rs +0 -0
  24. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/executor.rs +0 -0
  25. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/feature_store.rs +0 -0
  26. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/lib.rs +0 -0
  27. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/common.rs +0 -0
  28. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/conductivity.rs +0 -0
  29. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/dielectric.rs +0 -0
  30. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/dipole.rs +0 -0
  31. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/equipartition.rs +0 -0
  32. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/grouping.rs +0 -0
  33. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/hbond.rs +0 -0
  34. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/ion_pair.rs +0 -0
  35. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/legacy/mod.rs +0 -0
  36. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/legacy/param.rs +0 -0
  37. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/legacy/topol.rs +0 -0
  38. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/mod.rs +0 -0
  39. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/msd.rs +0 -0
  40. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/rotacf.rs +0 -0
  41. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/structure_factor.rs +0 -0
  42. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/analysis/water_count.rs +0 -0
  43. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/mod.rs +0 -0
  44. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/bond_angle.rs +0 -0
  45. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/bond_length.rs +0 -0
  46. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/chain_rg.rs +0 -0
  47. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/common.rs +0 -0
  48. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/contour.rs +0 -0
  49. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/end_to_end.rs +0 -0
  50. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/mod.rs +0 -0
  51. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/polymer/persistence.rs +0 -0
  52. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/rdf.rs +0 -0
  53. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/rg.rs +0 -0
  54. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/src/plans/rmsd.rs +0 -0
  55. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/tests/correlators.rs +0 -0
  56. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/tests/feature_store.rs +0 -0
  57. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/tests/trj_analysis_sample.rs +0 -0
  58. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-gpu/src/cuda.rs +0 -0
  59. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-gpu/src/lib.rs +0 -0
  60. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/src/dcd.rs +0 -0
  61. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/src/gro.rs +0 -0
  62. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/src/lib.rs +0 -0
  63. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/src/pdb.rs +0 -0
  64. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/src/xtc.rs +0 -0
  65. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-kernels/src/lib.rs +0 -0
  66. {warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-py/src/lib.rs +0 -0
  67. {warp_md-0.1.4 → warp_md-0.1.5}/python/warp_md/__init__.py +0 -0
  68. {warp_md-0.1.4 → warp_md-0.1.5}/python/warp_md/builder.py +0 -0
  69. {warp_md-0.1.4 → warp_md-0.1.5}/python/warp_md/cli.py +0 -0
  70. {warp_md-0.1.4 → warp_md-0.1.5}/python/warp_md/tests/test_cli_help.py +0 -0
{warp_md-0.1.4 → warp_md-0.1.5}/Cargo.lock RENAMED
@@ -587,11 +587,11 @@ dependencies = [
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  [[package]]
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  name = "traj-core"
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- version = "0.1.4"
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+ version = "0.1.5"
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  [[package]]
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  name = "traj-engine"
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- version = "0.1.4"
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+ version = "0.1.5"
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  dependencies = [
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  "bytemuck",
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  "libloading",
@@ -606,7 +606,7 @@ dependencies = [
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  [[package]]
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  name = "traj-gpu"
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- version = "0.1.4"
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+ version = "0.1.5"
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  dependencies = [
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  "cudarc",
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  "traj-core",
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  [[package]]
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  name = "traj-io"
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- version = "0.1.4"
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+ version = "0.1.5"
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  dependencies = [
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  "tempfile",
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  "traj-core",
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  [[package]]
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  name = "traj-kernels"
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- version = "0.1.4"
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+ version = "0.1.5"
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  name = "traj-py"
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- version = "0.1.4"
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+ version = "0.1.5"
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  dependencies = [
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  "numpy",
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  "pyo3",
{warp_md-0.1.4 → warp_md-0.1.5}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.3
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  Name: warp-md
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- Version: 0.1.4
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+ Version: 0.1.5
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  Requires-Dist: numpy
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  Requires-Dist: pyyaml ; extra == 'cli'
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  Provides-Extra: cli
{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-core/Cargo.toml RENAMED
@@ -1,6 +1,6 @@
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  [package]
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  name = "traj-core"
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- version = "0.1.4"
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+ version = "0.1.5"
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  edition = "2021"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-engine/Cargo.toml RENAMED
@@ -1,6 +1,6 @@
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  [package]
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  name = "traj-engine"
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- version = "0.1.4"
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+ version = "0.1.5"
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  edition = "2021"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-gpu/Cargo.toml RENAMED
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  [package]
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  name = "traj-gpu"
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- version = "0.1.4"
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+ version = "0.1.5"
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  edition = "2021"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-io/Cargo.toml RENAMED
@@ -1,6 +1,6 @@
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  [package]
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  name = "traj-io"
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- version = "0.1.4"
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  edition = "2021"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-kernels/Cargo.toml RENAMED
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  name = "traj-kernels"
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- version = "0.1.4"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/crates/traj-py/Cargo.toml RENAMED
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  name = "traj-py"
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- version = "0.1.4"
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  edition = "2021"
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  license = "MIT"
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{warp_md-0.1.4 → warp_md-0.1.5}/pyproject.toml RENAMED
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  [project]
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  name = "warp-md"
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- version = "0.1.4"
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  description = "warp-md Python bindings"
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  requires-python = ">=3.9"
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  dependencies = [
{warp_md-0.1.4 → warp_md-0.1.5}/Cargo.toml RENAMED
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{warp_md-0.1.4 → warp_md-0.1.5}/LICENSE RENAMED
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{warp_md-0.1.4 → warp_md-0.1.5}/MANIFEST.in RENAMED
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{warp_md-0.1.4 → warp_md-0.1.5}/README.md RENAMED
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{warp_md-0.1.4 → warp_md-0.1.5}/python/warp_md/cli.py RENAMED
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