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Commit f9da4e27 authored by Omar Valsson's avatar Omar Valsson
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Further regtests

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regtest/ves/rt-opt-averaged-sgd-monitor-aver-grad-exp-decay/gradient.data.reference 0 → 100644
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View file @ f9da4e27
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 2.000000
#! SET iteration 1
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.219197 -0.219197 1
2 0.970366 0.970366 2
3 0.884094 0.884094 3
4 0.421298 0.421298 4
5 0.590820 0.590820 5
6 -0.748809 -0.748809 6
7 -0.576392 -0.576392 7
8 -0.715341 -0.715341 8
9 -0.786645 -0.786645 9
10 0.381816 0.381816 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 4.000000
#! SET iteration 2
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.171909 -0.171909 1
2 0.983056 0.983056 2
3 0.933040 0.933040 3
4 0.336620 0.336620 4
5 0.487305 0.487305 5
6 -0.852350 -0.852350 6
7 -0.744842 -0.744842 7
8 -0.617866 -0.617866 8
9 -0.723239 -0.723239 9
10 0.615618 0.615618 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 6.000000
#! SET iteration 3
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.262470 -0.262470 1
2 0.961283 0.961283 2
3 0.849109 0.849109 3
4 0.501037 0.501037 4
5 0.694439 0.694439 5
6 -0.674944 -0.674944 6
7 -0.456423 -0.456423 7
8 -0.826382 -0.826382 8
9 -0.887287 -0.887287 9
10 0.215323 0.215323 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 8.000000
#! SET iteration 4
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.123003 0.123003 1
2 0.981481 0.981481 2
3 0.927275 0.927275 3
4 -0.236129 -0.236129 4
5 -0.330226 -0.330226 5
6 -0.841343 -0.841343 6
7 -0.729958 -0.729958 7
8 0.397544 0.397544 8
9 0.432305 0.432305 9
10 0.601249 0.601249 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 10.000000
#! SET iteration 5
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.106083 0.106083 1
2 0.847417 0.847417 2
3 0.444583 0.444583 3
4 -0.113081 -0.113081 4
5 0.025722 0.025722 5
6 0.065616 0.065616 6
7 0.508739 0.508739 7
8 -0.276699 -0.276699 8
9 -0.535793 -0.535793 9
10 -0.746272 -0.746272 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 12.000000
#! SET iteration 6
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.031729 -0.031729 1
2 0.975444 0.975444 2
3 0.903083 0.903083 3
4 0.058812 0.058812 4
5 0.076991 0.076991 5
6 -0.786761 -0.786761 6
7 -0.632645 -0.632645 7
8 -0.082751 -0.082751 8
9 -0.073628 -0.073628 9
10 0.448875 0.448875 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 14.000000
#! SET iteration 7
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.414884 0.414884 1
2 0.568606 0.568606 2
3 -0.002782 -0.002782 3
4 0.008683 0.008683 4
5 0.680270 0.680270 5
6 -0.225628 -0.225628 6
7 -0.813633 -0.813633 7
8 -0.581092 -0.581092 8
9 0.007020 0.007020 9
10 0.690771 0.690771 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 16.000000
#! SET iteration 8
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.373431 0.373431 1
2 0.754956 0.754956 2
3 0.254162 0.254162 3
4 -0.332883 -0.332883 4
5 0.134220 0.134220 5
6 0.026195 0.026195 6
7 -0.171032 -0.171032 7
8 -0.626246 -0.626246 8
9 -0.715567 -0.715567 9
10 0.635181 0.635181 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 18.000000
#! SET iteration 9
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.042175 -0.042175 1
2 0.988022 0.988022 2
3 0.952455 0.952455 3
4 0.081463 0.081463 4
5 0.115095 0.115095 5
6 -0.894387 -0.894387 6
7 -0.815592 -0.815592 7
8 -0.140542 -0.140542 8
9 -0.155619 -0.155619 9
10 0.718466 0.718466 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 20.000000
#! SET iteration 10
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.204695 -0.204695 1
2 0.965411 0.965411 2
3 0.866280 0.866280 3
4 0.384645 0.384645 4
5 0.518469 0.518469 5
6 -0.715888 -0.715888 6
7 -0.534349 -0.534349 7
8 -0.591051 -0.591051 8
9 -0.595595 -0.595595 9
10 0.345874 0.345874 10
#!-------------------
regtest/ves/rt-opt-averaged-sgd-monitor-aver-grad-exp-decay/plumed.dat
+ 3
− 0
View file @ f9da4e27
...@@ -27,6 +27,9 @@ OPT_AVERAGED_SGD ... ...@@ -27,6 +27,9 @@ OPT_AVERAGED_SGD ...
FES_OUTPUT=10 FES_OUTPUT=10
BIAS_OUTPUT=10 BIAS_OUTPUT=10
TARGETDIST_AVERAGES_FMT=%12.6f TARGETDIST_AVERAGES_FMT=%12.6f
GRADIENT_FILE=gradient.data
GRADIENT_OUTPUT=1
GRADIENT_FMT=%12.6f
COMBINED_GRADIENT_FILE=combined_gradient.data COMBINED_GRADIENT_FILE=combined_gradient.data
COMBINED_GRADIENT_OUTPUT=1 COMBINED_GRADIENT_OUTPUT=1
COMBINED_GRADIENT_FMT=%12.6f COMBINED_GRADIENT_FMT=%12.6f
......
regtest/ves/rt-opt-averaged-sgd-monitor-aver-grad/gradient.data.reference 0 → 100644
+ 210
− 0
View file @ f9da4e27
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 2.000000
#! SET iteration 1
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.219197 -0.219197 1
2 0.970366 0.970366 2
3 0.884094 0.884094 3
4 0.421298 0.421298 4
5 0.590820 0.590820 5
6 -0.748809 -0.748809 6
7 -0.576392 -0.576392 7
8 -0.715341 -0.715341 8
9 -0.786645 -0.786645 9
10 0.381816 0.381816 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 4.000000
#! SET iteration 2
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.171909 -0.195553 1
2 0.983056 0.976711 2
3 0.933040 0.908567 3
4 0.336620 0.378959 4
5 0.487305 0.539063 5
6 -0.852350 -0.800580 6
7 -0.744842 -0.660617 7
8 -0.617866 -0.666603 8
9 -0.723239 -0.754942 9
10 0.615618 0.498717 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 6.000000
#! SET iteration 3
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.262470 -0.217859 1
2 0.961283 0.971569 2
3 0.849109 0.888748 3
4 0.501037 0.419652 4
5 0.694439 0.590855 5
6 -0.674944 -0.758701 6
7 -0.456423 -0.592552 7
8 -0.826382 -0.719863 8
9 -0.887287 -0.799057 9
10 0.215323 0.404252 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 8.000000
#! SET iteration 4
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.123003 -0.132643 1
2 0.981481 0.974047 2
3 0.927275 0.898380 3
4 -0.236129 0.255707 4
5 -0.330226 0.360584 5
6 -0.841343 -0.779362 6
7 -0.729958 -0.626904 7
8 0.397544 -0.440511 8
9 0.432305 -0.491216 9
10 0.601249 0.453501 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 10.000000
#! SET iteration 5
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.106083 -0.084898 1
2 0.847417 0.948721 2
3 0.444583 0.807620 3
4 -0.113081 0.181949 4
5 0.025722 0.293612 5
6 0.065616 -0.610366 6
7 0.508739 -0.399775 7
8 -0.276699 -0.407749 8
9 -0.535793 -0.500132 9
10 -0.746272 0.213547 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 12.000000
#! SET iteration 6
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.031729 -0.076037 1
2 0.975444 0.953175 2
3 0.903083 0.823531 3
4 0.058812 0.161426 4
5 0.076991 0.257509 5
6 -0.786761 -0.639765 6
7 -0.632645 -0.438587 7
8 -0.082751 -0.353583 8
9 -0.073628 -0.429048 9
10 0.448875 0.252768 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 14.000000
#! SET iteration 7
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.414884 -0.005905 1
2 0.568606 0.898236 2
3 -0.002782 0.705486 3
4 0.008683 0.139606 4
5 0.680270 0.317903 5
6 -0.225628 -0.580603 6
7 -0.813633 -0.492165 7
8 -0.581092 -0.386084 8
9 0.007020 -0.366752 9
10 0.690771 0.315340 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 16.000000
#! SET iteration 8
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 0.373431 0.041512 1
2 0.754956 0.880326 2
3 0.254162 0.649070 3
4 -0.332883 0.080545 4
5 0.134220 0.294943 5
6 0.026195 -0.504753 6
7 -0.171032 -0.452023 7
8 -0.626246 -0.416104 8
9 -0.715567 -0.410354 9
10 0.635181 0.355320 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 18.000000
#! SET iteration 9
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.042175 0.032213 1
2 0.988022 0.892292 2
3 0.952455 0.682780 3
4 0.081463 0.080647 4
5 0.115095 0.274959 5
6 -0.894387 -0.548046 6
7 -0.815592 -0.492420 7
8 -0.140542 -0.385486 8
9 -0.155619 -0.382050 9
10 0.718466 0.395670 10
#!-------------------
#! FIELDS idx_phi ves1.gradient ves1.aver_gradient index
#! SET time 20.000000
#! SET iteration 10
#! SET type LinearBasisSet
#! SET ndimensions 1
#! SET ncoeffs_total 11
#! SET shape_phi 11
0 0.000000 0.000000 0
1 -0.204695 0.008523 1
2 0.965411 0.899604 2
3 0.866280 0.701130 3
4 0.384645 0.111047 4
5 0.518469 0.299310 5
6 -0.715888 -0.564830 6
7 -0.534349 -0.496613 7
8 -0.591051 -0.406043 8
9 -0.595595 -0.403405 9
10 0.345874 0.390690 10
#!-------------------
regtest/ves/rt-opt-averaged-sgd-monitor-aver-grad/plumed.dat
+ 3
− 0
View file @ f9da4e27
...@@ -27,6 +27,9 @@ OPT_AVERAGED_SGD ... ...@@ -27,6 +27,9 @@ OPT_AVERAGED_SGD ...
FES_OUTPUT=10 FES_OUTPUT=10
BIAS_OUTPUT=10 BIAS_OUTPUT=10
TARGETDIST_AVERAGES_FMT=%12.6f TARGETDIST_AVERAGES_FMT=%12.6f
GRADIENT_FILE=gradient.data
GRADIENT_OUTPUT=1
GRADIENT_FMT=%12.6f
COMBINED_GRADIENT_FILE=combined_gradient.data COMBINED_GRADIENT_FILE=combined_gradient.data
COMBINED_GRADIENT_OUTPUT=1 COMBINED_GRADIENT_OUTPUT=1
COMBINED_GRADIENT_FMT=%12.6f COMBINED_GRADIENT_FMT=%12.6f
......
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