Commits

Branch selector

 master

User selector

All users

Datepicker

All time

Commit History

Commits on Mar 8, 2021

• move docs to doc

  jhrmnn

  committed
  a35cde8

  Copy full SHA for a35cde8

• [ci] switch from travis to github actions

  jhrmnn

  committed
  cba9a27

  Copy full SHA for cba9a27

• drop Python 3.5

  jhrmnn

  committed
  4d0deae

  Copy full SHA for 4d0deae

Commits on Feb 22, 2021

• [doc] update doc

  jhrmnn

  committed
  37ca6ec

  Copy full SHA for 37ca6ec

• pin sphinx<3

  jhrmnn

  committed
  4b6d042

  Copy full SHA for 4b6d042

• switch to dynamic versioning

  jhrmnn

  committed
  8dd2ebe

  Copy full SHA for 8dd2ebe

• add python 3.9 to CI

  jhrmnn

  committed
  b249a1c

  Copy full SHA for b249a1c

• add changelog

  jhrmnn

  committed
  3a5432a

  Copy full SHA for 3a5432a

• fix cli with no param file

  jhrmnn

  committed
  d69e18f

  Copy full SHA for d69e18f

• fix Berny not being pickable

  jhrmnn

  committed
  21a4e82

  Copy full SHA for 21a4e82

• [dev] update packages

  jhrmnn

  committed
  d717c02

  Copy full SHA for d717c02

Commits on Aug 1, 2020

• [readme] polish readme

  jhrmnn

  committed
  6c3bee0

  Copy full SHA for 6c3bee0

• [ci] remove tox & refactor ci

  jhrmnn

  committed
  22bf9f7

  Copy full SHA for 22bf9f7

• [doc] refactor conf to not require installation

  jhrmnn

  committed
  05b57d8

  Copy full SHA for 05b57d8

Commits on May 5, 2020

• add DOI badge

  jhrmnn

  committed
  96dd5a0

  Copy full SHA for 96dd5a0

• update project/package name to PyBerny

  jhrmnn

  committed
  a7e435f

  Copy full SHA for a7e435f

Commits on Feb 21, 2020

• refactor Logger extras

  jhrmnn

  committed
  147e1e9

  Copy full SHA for 147e1e9

Commits on Feb 20, 2020

• [readme] add mention of Pyscf

  jhrmnn

  committed
  850c010

  Copy full SHA for 850c010

• add optional custom logger to Berny()

  jhrmnn

  committed
  7e15ce8

  Copy full SHA for 7e15ce8

• [readme] add note about ASE

  Show description for 2933d32
  jhrmnn

  committed
  2933d32

  Copy full SHA for 2933d32

• reformat code

  jhrmnn

  committed
  a74ac32

  Copy full SHA for a74ac32

• change convergence test to use internal gradient

  jhrmnn

  committed
  0e81865

  Copy full SHA for 0e81865

• refactor tests

  jhrmnn

  committed
  05c59ed

  Copy full SHA for 05c59ed

• add Berny.converged property

  jhrmnn

  committed
  de55104

  Copy full SHA for de55104

• add water molecule test

  jhrmnn

  committed
  2344314

  Copy full SHA for 2344314

• refactor MopacSolver to use heat of formation

  jhrmnn

  committed
  342e6dd

  Copy full SHA for 342e6dd

• rename variable

  jhrmnn

  committed
  b929c0d

  Copy full SHA for b929c0d

Commits on Feb 19, 2020

• improve docs formatting

  jhrmnn

  committed
  2e26472

  Copy full SHA for 2e26472

• add black style to RADME

  Show description for 637661d
  jhrmnn

  committed
  637661d

  Copy full SHA for 637661d

• add 3.5 and 3.8 to travis

  jhrmnn

  committed
  b1e12e2

  Copy full SHA for b1e12e2

• drop python 2 from docs

  jhrmnn

  committed
  260d227

  Copy full SHA for 260d227

• restructure pkg & drop support for python 2.7, 3.4

  jhrmnn

  committed
  800db3e

  Copy full SHA for 800db3e

• replace berny.Logger with stdlib's logging

  jhrmnn

  committed
  0cba143

  Copy full SHA for 0cba143

Commits on May 17, 2019

• add Berny.trust property

  jhrmnn

  committed
  cd81995

  Copy full SHA for cd81995

• apply black style, isort, pydocstyle

  jhrmnn

  committed
  99b1ba2

  Copy full SHA for 99b1ba2

Pagination

Previous

Next