1.3.0

What's Changed

• Fix discovery of internal light molpro. It now gets found for default local backend if there is no full molpro in $PATH.
• Internal light molpro version 2024.3.0
• Fix #268 by parsing any whitespace instead of just space in determining electron count from geometry by @pjknowles in #269
• Fix missing raw string specifier by @pjknowles in #272
• Fix #268 by parsing any whitespace instead of just space in determining electron count from geometry by @pjknowles in #269

Full Changelog: 1.2.0...1.3.0

1.2.0

What's Changed

• Implement core correlation restrictions on basis selection. by @pjknowles in #249
• fix 140 by @pjknowles in #251
• adopt logging for debugging. by @pjknowles in #252
• Resize jmol panels when window size changes. by @pjknowles in #253
• Animation of vibrations off by default, and not forced when switching mode. by @pjknowles in #254
• feature 146 by @pjknowles in #255
• Fix #256 by squashing old output panels before job submission by @pjknowles in #257
• Orbital transparency by @pjknowles in #258
• teach by @pjknowles in #260
• fix 262 by @pjknowles in #263
• Fix #261 by trapping the case of corrupted vibration information in xml stream by @pjknowles in #264
• Signed installation packages by @pjknowles in #265

Full Changelog: 1.1.0...1.2.0

1.1.6

Full Changelog: 1.1.5...1.1.6

1.1.5

What's Changed

• Fix #256 by squashing old output panels before job submission by @pjknowles in #257
• Orbital transparency by @pjknowles in #258
• teach by @pjknowles in #260

Full Changelog: 1.1.4...1.1.5

1.1.4

What's Changed

• full support for orbital transparency setting in #255

Full Changelog: 1.1.3...1.1.4

1.1.3

Full Changelog: 1.1.2...1.1.3

1.1.2

What's Changed

• fix 140 by @pjknowles in #251
• adopt logging for debugging. by @pjknowles in #252
• Resize jmol panels when window size changes. by @pjknowles in #253
• Animation of vibrations off by default, and not forced when switching mode. by @pjknowles in #254

Full Changelog: 1.1.1...1.1.2

1.1.1

What's Changed

• Implement core correlation restrictions on basis selection. by @pjknowles in #249

Full Changelog: 1.1.0...1.1.1

1.1.0

What's Changed

• Support for Windows
• Element-specific basis selector

Full Changelog: 1.0.0...1.1.0

1.0.6

tidy

Signed-off-by: Peter Knowles <[email protected]>