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molpro
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iMolpro
GNU General Public License v3.0
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Implement core correlation restrictions on basis selection.
#249
pjknowles
closed
2 days ago
2
The Chemspider api no longer works
#248
pjknowles
opened
5 days ago
0
Get the correct labelling of atoms in jmol viewer
#247
pjknowles
opened
5 days ago
0
Resize jmol panels when main window size is changed
#246
pjknowles
opened
5 days ago
0
Element-specific basis selector
#245
pjknowles
closed
5 days ago
1
New project with no geometry results in warning message
#244
pjknowles
closed
6 days ago
0
Sometimes the Run Job is greyed out even if you change the input file
#243
pjknowles
closed
6 days ago
1
For new (not yet run) projects, show the viewer instead of builder by default
#242
pjknowles
closed
6 days ago
2
The builder should be square
#241
pjknowles
closed
1 week ago
0
Accelerators for zoom in should be + not shift-= as they are not the same on all keyboards
#240
pjknowles
closed
1 week ago
0
zoom menus are always greyed out.
#239
pjknowles
closed
1 week ago
1
Make input parser always succeed
#238
pjknowles
closed
1 week ago
0
Windows build is broken because of conda dependency problems
#237
pjknowles
closed
1 week ago
0
Check that installation works in vanilla user accounts on macOS, windows, linux
#236
pjknowles
closed
1 week ago
1
Add convert to z-matrix function
#235
pjknowles
closed
1 week ago
0
Add jmol documentation link to menus
#234
pjknowles
closed
1 week ago
0
Make atom labels black
#233
pjknowles
closed
2 weeks ago
0
wrong behaviour when clicking an existing project that has not run
#232
hjwerner
closed
1 week ago
1
iMolpro crashes if one deletes projects in iMolpro.trash manually
#231
hjwerner
closed
2 weeks ago
1
iMolpro_thresh files should not be shown in recent projects
#230
hjwerner
closed
2 weeks ago
1
Display size varies and structure not shown when a project is loaded
#229
hjwerner
closed
1 week ago
5
Add checkbox to toggle the display of atom labels
#228
pjknowles
closed
2 weeks ago
0
build macos hack
#227
pjknowles
closed
4 months ago
0
build macos hack
#226
pjknowles
closed
4 months ago
1
implement support for Molpro element range basis set specifications
#225
pjknowles
closed
5 days ago
0
Automated build for intel macOS produces bad binary
#224
pjknowles
closed
1 week ago
1
windows rsync
#223
pjknowles
closed
6 months ago
0
change in basis set line; "warning should not happen" (some untrapped case I guess)
#222
klauspdoll
closed
6 days ago
1
Implement remote backend support on Windows
#221
pjknowles
closed
1 week ago
1
Builder fails on Windows
#220
pjknowles
closed
6 months ago
0
Windows
#219
pjknowles
closed
6 months ago
0
suggestion: --xml-orbdump also in molpro.rc
#218
klauspdoll
closed
2 weeks ago
1
error on startup: invalid escape sequence '\d'
#217
klauspdoll
closed
7 months ago
1
Help window is blank on Windows
#216
pjknowles
closed
6 months ago
0
safer parsing of general basis blocks
#215
pjknowles
closed
7 months ago
0
CI
#214
pjknowles
closed
7 months ago
0
Improved handling of missing or corrupt local molpro
#213
pjknowles
closed
7 months ago
0
Stepping charge selector
#212
pjknowles
closed
7 months ago
0
CI
#211
pjknowles
closed
7 months ago
0
webengineview tidy
#210
pjknowles
closed
7 months ago
0
Selecting a new normal mode in the vibration interface shouldn't switch on animation
#209
pjknowles
opened
7 months ago
0
multiple vod
#208
pjknowles
closed
7 months ago
0
Resolve #167
#207
pjknowles
closed
7 months ago
1
Resolve #200
#206
pjknowles
closed
7 months ago
0
Fix #204
#205
pjknowles
closed
7 months ago
0
Input with thresholds not regenerated correctly
#204
pjknowles
closed
7 months ago
0
edit structure does not get stored in xyz file
#203
klauspdoll
closed
7 months ago
1
Visualisation from output files should deal properly with Molpro runtime errors
#202
klauspdoll
closed
3 days ago
1
Make guided input pane fixed vertical spacing instead of stretching
#201
pjknowles
closed
7 months ago
0
Import structure from file should offer only *.xyz
#200
pjknowles
closed
7 months ago
0
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