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parser-charmm
Commit 4c4660c9 authored by Berk Onat's avatar Berk Onat
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Corrections added for meta info

parent 68150645
Pipeline #26702 passed with stage
    in 6 minutes and 22 seconds
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    Showing with 3 additions and 3 deletions
    parser/parser-charmm/CHARMMDictionary.py
    View file @ 4c4660c9
    ......@@ -962,7 +962,7 @@ def get_updateDictionary(self, defname):
    valtype='int',
    lookupdict=self.mddataDict
    ),
    'x_charmm_frame_sequence_high_frequency_correction_total_energy_energy' : MetaInfoMap(startpage,
    'x_charmm_frame_sequence_high_frequency_correction_total_energy' : MetaInfoMap(startpage,
    activeSections=['section_frame_sequence'],
    depends=[{'store' : 'HFCTOTE'}],
    valtype='float',
    ......@@ -990,7 +990,7 @@ def get_updateDictionary(self, defname):
    valtype='int',
    lookupdict=self.mddataDict
    ),
    'x_charmm_frame_sequence_high_frequency_correction_energy_energy' : MetaInfoMap(startpage,
    'x_charmm_frame_sequence_high_frequency_correction_energy' : MetaInfoMap(startpage,
    activeSections=['section_frame_sequence'],
    depends=[{'store' : 'EHFCOR'}],
    valtype='float',
    ......@@ -1004,7 +1004,7 @@ def get_updateDictionary(self, defname):
    valtype='int',
    lookupdict=self.mddataDict
    ),
    'x_charmm_frame_sequence_virial_kinetic_energy_energy' : MetaInfoMap(startpage,
    'x_charmm_frame_sequence_virial_kinetic_energy' : MetaInfoMap(startpage,
    activeSections=['section_frame_sequence'],
    depends=[{'store' : 'VIRKE'}],
    valtype='float',
    ......
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